CID 19379583

2-hydroxy-4-(propan-2-yl)benzoic acid

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

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

InChI

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

InChIKey

QHKBRMHTGGMYFC-UHFFFAOYSA-N

Compound name

2-hydroxy-4-propan-2-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 140
Patents: 180.07864 Da
Monoisotopic Mass: 3.8
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]+	181.08592	137.9
[M+Na]+	203.06786	149.3
[M+NH4]+	198.11246	145.1
[M+K]+	219.04180	145.2
[M-H]-	179.07136	138.2
[M+Na-2H]-	201.05331	142.6
[M]+	180.07809	139.4
[M]-	180.07919	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe