CID 5312780

24-hydroxytetracosanoic acid

Structural Information

Molecular Formula
C24H48O3
SMILES
C(CCCCCCCCCCCC(=O)O)CCCCCCCCCCCO
InChI
InChI=1S/C24H48O3/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(26)27/h25H,1-23H2,(H,26,27)
InChIKey
OVBKVWSHXDCSTK-UHFFFAOYSA-N
Compound name
24-hydroxytetracosanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

163
Patents

384.36035 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.36763 208.4
[M+Na]+ 407.34957 207.2
[M-H]- 383.35307 202.3
[M+NH4]+ 402.39417 218.7
[M+K]+ 423.32351 201.8
[M+H-H2O]+ 367.35761 200.6
[M+HCOO]- 429.35855 223.1
[M+CH3COO]- 443.37420 221.5
[M+Na-2H]- 405.33502 203.7
[M]+ 384.35980 215.6
[M]- 384.36090 215.6
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