PubChemLite - 2e,4e,6e,8e,10e,12e,14e,16e,18e,20e,22e.24e,26e-hexacosadodecaenal (C26H28O)

Structural Information

Molecular Formula

SMILES

C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O

InChI

InChI=1S/C26H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h2-26H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+,23-22+,25-24+

InChIKey

TWHNZKBTKVPHAG-IAKYJRAWSA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenal

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	357.22130	190.0
[M+Na]+	379.20324	193.9
[M-H]-	355.20674	187.6
[M+NH4]+	374.24784	203.3
[M+K]+	395.17718	181.2
[M+H-H2O]+	339.21128	183.5
[M+HCOO]-	401.21222	210.4
[M+CH3COO]-	415.22787	210.9
[M+Na-2H]-	377.18869	187.5
[M]+	356.21347	190.5
[M]-	356.21457	190.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

357.22130

190.0

[M+Na]+

379.20324

193.9

[M-H]-

355.20674

187.6

[M+NH4]+

374.24784

203.3

[M+K]+

395.17718

181.2

[M+H-H2O]+

339.21128

183.5

[M+HCOO]-

401.21222

210.4

[M+CH3COO]-

415.22787

210.9

[M+Na-2H]-

377.18869

187.5

[M]+

356.21347

190.5

[M]-

356.21457

190.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2e,4e,6e,8e,10e,12e,14e,16e,18e,20e,22e.24e,26e-hexacosadodecaenal

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe