CID 5312564

17z-tricosenoic acid

Structural Information

Molecular Formula
C23H44O2
SMILES
CCCCC/C=C\CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h6-7H,2-5,8-22H2,1H3,(H,24,25)/b7-6-
InChIKey
FIBGZVSOAZMXHT-SREVYHEPSA-N
Compound name
(Z)-tricos-17-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.33414 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.341416 199.9
[M+Na]+ 375.323358 200.1
[M-H]- 351.326864 195.7
[M+NH4]+ 370.367963 212.4
[M+K]+ 391.297298 194.6
[M+H-H2O]+ 335.331400 192.5
[M+HCOO]- 397.332341 216.5
[M+CH3COO]- 411.347991 217.8
[M+Na-2H]- 373.308806 196.2
[M]+ 352.33359142 206.5
[M]- 352.33468858 206.5
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.