CID 6443974

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
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

patents stripe