CID 152915

2-hydroxytricosanoic acid

Structural Information

Molecular Formula
C23H46O3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C23H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26/h22,24H,2-21H2,1H3,(H,25,26)
InChIKey
JZWLIRVAYJRWLN-UHFFFAOYSA-N
Compound name
2-hydroxytricosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

112
Patents

370.3447 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.35198 205.2
[M+Na]+ 393.33392 204.2
[M-H]- 369.33742 199.5
[M+NH4]+ 388.37852 216.0
[M+K]+ 409.30786 199.6
[M+H-H2O]+ 353.34196 197.8
[M+HCOO]- 415.34290 219.2
[M+CH3COO]- 429.35855 219.3
[M+Na-2H]- 391.31937 199.7
[M]+ 370.34415 211.4
[M]- 370.34525 211.4
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