CID 52921778

26:2(5z,9z)(25me)

Structural Information

Molecular Formula
C27H50O2
SMILES
CC(C)CCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C27H50O2/c1-26(2)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27(28)29/h9,11,17,19,26H,3-8,10,12-16,18,20-25H2,1-2H3,(H,28,29)/b11-9-,19-17-
InChIKey
DNEGLXLXJLONIP-CCVDTEMHSA-N
Compound name
(5Z,9Z)-25-methylhexacosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.38107 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.38835 216.7
[M+Na]+ 429.37029 215.4
[M-H]- 405.37379 211.8
[M+NH4]+ 424.41489 214.3
[M+K]+ 445.34423 208.8
[M+H-H2O]+ 389.37833 208.8
[M+HCOO]- 451.37927 223.8
[M+CH3COO]- 465.39492 228.9
[M+Na-2H]- 427.35574 209.7
[M]+ 406.38052 223.4
[M]- 406.38162 223.4
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.