CID 18991409

100304-49-2

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

CC1=CC(=CC(=C1O)C)C(C(=O)O)O

InChI

InChI=1S/C10H12O4/c1-5-3-7(9(12)10(13)14)4-6(2)8(5)11/h3-4,9,11-12H,1-2H3,(H,13,14)

InChIKey

RZEFQGHPKYOLKG-UHFFFAOYSA-N

Compound name

2-hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 196.07356 Da
Monoisotopic Mass: 1.2
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]+	197.080836	139.9
[M+Na]+	219.062778	147.9
[M-H]-	195.066284	140.3
[M+NH4]+	214.107383	157.7
[M+K]+	235.036718	145.8
[M+H-H2O]+	179.070820	135.1
[M+HCOO]-	241.071761	158.6
[M+CH3COO]-	255.087411	179.5
[M+Na-2H]-	217.048226	141.5
[M]+	196.07301142	139.5
[M]-	196.07410858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe