CID 5312561

14e-tricosenoic acid

Structural Information

Molecular Formula
C23H44O2
SMILES
CCCCCCCC/C=C/CCCCCCCCCCCCC(=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/h9-10H,2-8,11-22H2,1H3,(H,24,25)/b10-9+
InChIKey
BRCMIDDAOIVEAZ-MDZDMXLPSA-N
Compound name
(E)-tricos-14-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
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

patents stripe