CID 52921777

24-methyl-5z,9z-pentacosadienoic acid

Structural Information

Molecular Formula
C26H48O2
SMILES
CC(C)CCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C26H48O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h8,10,16,18,25H,3-7,9,11-15,17,19-24H2,1-2H3,(H,27,28)/b10-8-,18-16-
InChIKey
GCCXBHCBVGHCBF-CVQIAKFNSA-N
Compound name
(5Z,9Z)-24-methylpentacosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.36542 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.37270 212.4
[M+Na]+ 415.35464 211.4
[M-H]- 391.35814 207.7
[M+NH4]+ 410.39924 210.7
[M+K]+ 431.32858 205.1
[M+H-H2O]+ 375.36268 204.7
[M+HCOO]- 437.36362 220.6
[M+CH3COO]- 451.37927 225.9
[M+Na-2H]- 413.34009 205.9
[M]+ 392.36487 218.7
[M]- 392.36597 218.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.