CID 21776884

(5z,9z)-22-methyl-5,9-tetracosadienoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.