CID 110437

5-hexadecylsalicylic acid

Structural Information

Molecular Formula
C23H38O3
SMILES
CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)O)C(=O)O
InChI
InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22(24)21(19-20)23(25)26/h17-19,24H,2-16H2,1H3,(H,25,26)
InChIKey
VCLDAIPENLEIRV-UHFFFAOYSA-N
Compound name
5-hexadecyl-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

362.2821 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28938 196.0
[M+Na]+ 385.27132 205.0
[M+NH4]+ 380.31592 201.0
[M+K]+ 401.24526 196.9
[M-H]- 361.27482 195.9
[M+Na-2H]- 383.25677 197.6
[M]+ 362.28155 197.0
[M]- 362.28265 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe