CID 5312563

16z-tricosenoic acid

Structural Information

Molecular Formula
C23H44O2
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCCC(=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/h7-8H,2-6,9-22H2,1H3,(H,24,25)/b8-7-
InChIKey
WJUFVBCUBJGBER-FPLPWBNLSA-N
Compound name
(Z)-tricos-16-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]+ 353.34142 199.9
[M+Na]+ 375.32336 200.1
[M-H]- 351.32686 195.7
[M+NH4]+ 370.36796 212.4
[M+K]+ 391.29730 194.6
[M+H-H2O]+ 335.33140 192.5
[M+HCOO]- 397.33234 216.5
[M+CH3COO]- 411.34799 217.8
[M+Na-2H]- 373.30881 196.2
[M]+ 352.33359 206.5
[M]- 352.33469 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

literature stripe

Patent stripe

No patent data available for this compound.