CID 12540049

31589-71-6

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CC(C)C1=CC(=C(C=C1)O)C(=O)O

InChI

InChI=1S/C10H12O3/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6,11H,1-2H3,(H,12,13)

InChIKey

XAISONUNKQTASN-UHFFFAOYSA-N

Compound name

2-hydroxy-5-propan-2-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 153
Patents: 180.07864 Da
Monoisotopic Mass: 3.5
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]+	181.08592	136.9
[M+Na]+	203.06786	144.6
[M-H]-	179.07136	138.4
[M+NH4]+	198.11246	155.9
[M+K]+	219.04180	142.7
[M+H-H2O]+	163.07590	132.0
[M+HCOO]-	225.07684	157.0
[M+CH3COO]-	239.09249	178.5
[M+Na-2H]-	201.05331	139.8
[M]+	180.07809	136.6
[M]-	180.07919	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe