CID 22218872

148348-12-3

Structural Information

Molecular Formula

C₂₃H₃₈O₃

SMILES

CCCCCCCCC(CCCCCC)COC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C23H38O3/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-26-23(25)21-15-17-22(24)18-16-21/h15-18,20,24H,3-14,19H2,1-2H3

InChIKey

AWTUIOQHXHBRDW-UHFFFAOYSA-N

Compound name

2-hexyldecyl 4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 211
Patents: 362.2821 Da
Monoisotopic Mass: 8.9
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	195.9
[M+Na]+	385.27132	204.8
[M+NH4]+	380.31592	201.2
[M+K]+	401.24526	197.0
[M-H]-	361.27482	196.1
[M+Na-2H]-	383.25677	197.9
[M]+	362.28155	197.0
[M]-	362.28265	197.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe