CID 21774060

17z,21z-hexacosadienoic acid

Structural Information

Molecular Formula
C26H48O2
SMILES
CCCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h5-6,9-10H,2-4,7-8,11-25H2,1H3,(H,27,28)/b6-5-,10-9-
InChIKey
KZUMDSZMHVFWIB-WBHJMADESA-N
Compound name
(17Z,21Z)-hexacosa-17,21-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.36542 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.37270 211.4
[M+Na]+ 415.35464 210.7
[M-H]- 391.35814 206.6
[M+NH4]+ 410.39924 222.2
[M+K]+ 431.32858 203.9
[M+H-H2O]+ 375.36268 203.6
[M+HCOO]- 437.36362 227.2
[M+CH3COO]- 451.37927 225.2
[M+Na-2H]- 413.34009 206.2
[M]+ 392.36487 218.3
[M]- 392.36597 218.3
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.