CID 3019847

3-hydroxybutyl salicylate

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

CC(CCOC(=O)C1=CC=CC=C1O)O

InChI

InChI=1S/C11H14O4/c1-8(12)6-7-15-11(14)9-4-2-3-5-10(9)13/h2-5,8,12-13H,6-7H2,1H3

InChIKey

GOWRHHXEUNPVIC-UHFFFAOYSA-N

Compound name

3-hydroxybutyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 210.0892 Da
Monoisotopic Mass: 3.0
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]+	211.09648	145.9
[M+Na]+	233.07842	156.2
[M+NH4]+	228.12302	152.3
[M+K]+	249.05236	152.2
[M-H]-	209.08192	145.5
[M+Na-2H]-	231.06387	150.0
[M]+	210.08865	147.0
[M]-	210.08975	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe