CID 5312325

23-methyl-5,9-tetracosadienoic acid

Structural Information

Molecular Formula
C25H46O2
SMILES
CC(C)CCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C25H46O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h7,9,15,17,24H,3-6,8,10-14,16,18-23H2,1-2H3,(H,26,27)/b9-7-,17-15-
InChIKey
IFDKMNCNGRJPIB-UNNWTIKVSA-N
Compound name
(5Z,9Z)-23-methyltetracosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

378.3498 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.35708 208.0
[M+Na]+ 401.33902 207.5
[M-H]- 377.34252 203.6
[M+NH4]+ 396.38362 219.4
[M+K]+ 417.31296 201.5
[M+H-H2O]+ 361.34706 200.5
[M+HCOO]- 423.34800 223.1
[M+CH3COO]- 437.36365 223.0
[M+Na-2H]- 399.32447 202.1
[M]+ 378.34925 213.9
[M]- 378.35035 213.9
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