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]+ 353.341416 201.7
[M+Na]+ 375.323358 201.2
[M-H]- 351.326864 197.7
[M+NH4]+ 370.367963 214.0
[M+K]+ 391.297298 197.3
[M+H-H2O]+ 335.331400 194.7
[M+HCOO]- 397.332341 215.2
[M+CH3COO]- 411.347991 220.2
[M+Na-2H]- 373.308806 194.1
[M]+ 352.33359142 206.3
[M]- 352.33468858 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.