CID 23426094

26-methyl-5z,9z-heptacosadienoic acid

Structural Information

Molecular Formula
C28H52O2
SMILES
CC(C)CCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C28H52O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h10,12,18,20,27H,3-9,11,13-17,19,21-26H2,1-2H3,(H,29,30)/b12-10-,20-18-
InChIKey
QNOUWBLGEQAMLS-VSEGLXAPSA-N
Compound name
(5Z,9Z)-26-methylheptacosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.39673 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.40401 221.0
[M+Na]+ 443.38595 219.2
[M-H]- 419.38945 215.9
[M+NH4]+ 438.43055 217.9
[M+K]+ 459.35989 212.4
[M+H-H2O]+ 403.39399 212.9
[M+HCOO]- 465.39493 227.0
[M+CH3COO]- 479.41058 231.8
[M+Na-2H]- 441.37140 213.5
[M]+ 420.39618 228.0
[M]- 420.39728 228.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.