CID 52929810

11,15,19-trimethyl-5z-eicosenoic acid

Structural Information

Molecular Formula
C23H44O2
SMILES
CC(C)CCCC(C)CCCC(C)CCCC/C=C\CCCC(=O)O
InChI
InChI=1S/C23H44O2/c1-20(2)14-12-16-22(4)18-13-17-21(3)15-10-8-6-5-7-9-11-19-23(24)25/h5,7,20-22H,6,8-19H2,1-4H3,(H,24,25)/b7-5-
InChIKey
YFFYZNLBGSMHGN-ALCCZGGFSA-N
Compound name
(Z)-11,15,19-trimethylicos-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.33414 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.34142 201.7
[M+Na]+ 375.32336 201.2
[M-H]- 351.32686 197.7
[M+NH4]+ 370.36796 214.0
[M+K]+ 391.29730 197.3
[M+H-H2O]+ 335.33140 194.7
[M+HCOO]- 397.33234 215.2
[M+CH3COO]- 411.34799 220.2
[M+Na-2H]- 373.30881 194.1
[M]+ 352.33359 206.3
[M]- 352.33469 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.