CID 5283370

10-pentadecenal

Structural Information

Molecular Formula

C₁₅H₂₈O

SMILES

CCCC/C=C/CCCCCCCCC=O

InChI

InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-6,15H,2-4,7-14H2,1H3/b6-5+

InChIKey

CQHGVQUJJPIQQW-AATRIKPKSA-N

Compound name

(E)-pentadec-10-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 224.21402 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

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]+	225.22130	159.9
[M+Na]+	247.20324	164.1
[M-H]-	223.20674	158.7
[M+NH4]+	242.24784	178.5
[M+K]+	263.17718	160.8
[M+H-H2O]+	207.21128	154.0
[M+HCOO]-	269.21222	181.4
[M+CH3COO]-	283.22787	194.1
[M+Na-2H]-	245.18869	162.3
[M]+	224.21347	164.7
[M]-	224.21457	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe