CID 543855

22-tricosenoic acid

Structural Information

Molecular Formula
C23H44O2
SMILES
C=CCCCCCCCCCCCCCCCCCCCCC(=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/h2H,1,3-22H2,(H,24,25)
InChIKey
YGTSVJQQDISEHZ-UHFFFAOYSA-N
Compound name
tricos-22-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

338
Patents

352.33414 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.34142 199.7
[M+Na]+ 375.32336 199.7
[M-H]- 351.32686 195.3
[M+NH4]+ 370.36796 212.0
[M+K]+ 391.29730 194.3
[M+H-H2O]+ 335.33140 192.2
[M+HCOO]- 397.33234 216.2
[M+CH3COO]- 411.34799 218.5
[M+Na-2H]- 373.30881 196.0
[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

literature stripe

Patent stripe

patents stripe