CID 110437

28294-58-8

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: 37
Patents: 362.2821 Da
Monoisotopic Mass: 10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.28938	196.4
[M+Na]+	385.27132	198.5
[M-H]-	361.27482	195.1
[M+NH4]+	380.31592	207.8
[M+K]+	401.24526	193.0
[M+H-H2O]+	345.27936	188.5
[M+HCOO]-	407.28030	212.9
[M+CH3COO]-	421.29595	216.5
[M+Na-2H]-	383.25677	193.4
[M]+	362.28155	201.3
[M]-	362.28265	201.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe