CID 17085

Tricosanoic acid

Structural Information

Molecular Formula
C23H46O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C23H46O2/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/h2-22H2,1H3,(H,24,25)
InChIKey
XEZVDURJDFGERA-UHFFFAOYSA-N
Compound name
tricosanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

7827
Patents

354.3498 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.357076 201.4
[M+Na]+ 377.339018 201.2
[M-H]- 353.342524 197.1
[M+NH4]+ 372.383623 213.8
[M+K]+ 393.312958 196.3
[M+H-H2O]+ 337.347060 193.9
[M+HCOO]- 399.348001 217.7
[M+CH3COO]- 413.363651 219.3
[M+Na-2H]- 375.324466 197.6
[M]+ 354.34925142 208.8
[M]- 354.35034858 208.8
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