PubChemLite - (2e,4e,6e,8e,10e,12e,14e,16e,18e,20e)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal (C30H38O)

Structural Information

Molecular Formula

SMILES

CC(=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)/C)/C)C

InChI

InChI=1S/C30H38O/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)24-31/h8-24H,1-7H3/b9-8+,17-10+,18-11+,19-12+,22-13+,26-15+,27-16+,28-20+,29-21+,30-23+

InChIKey

WJIRXBXHLMIPEE-FXMPDBABSA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal

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]+	415.29955	203.0
[M+Na]+	437.28149	209.7
[M+NH4]+	432.32609	204.7
[M+K]+	453.25543	206.7
[M-H]-	413.28499	199.4
[M+Na-2H]-	435.26694	209.5
[M]+	414.29172	202.8
[M]-	414.29282	202.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

415.29955

203.0

[M+Na]+

437.28149

209.7

[M+NH4]+

432.32609

204.7

[M+K]+

453.25543

206.7

[M-H]-

413.28499

199.4

[M+Na-2H]-

435.26694

209.5

[M]+

414.29172

202.8

[M]-

414.29282

202.8

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)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe