CID 1514302

2,6-dimethyl-4-hydroxybenzoic acid

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CC1=CC(=CC(=C1C(=O)O)C)O

InChI

InChI=1S/C9H10O3/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,10H,1-2H3,(H,11,12)

InChIKey

FFUMDYCIOSWRLV-UHFFFAOYSA-N

Compound name

4-hydroxy-2,6-dimethylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 632
Patents: 166.06299 Da
Monoisotopic Mass: 1.8
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]+	167.070266	131.4
[M+Na]+	189.052208	140.8
[M-H]-	165.055714	133.5
[M+NH4]+	184.096813	151.4
[M+K]+	205.026148	138.7
[M+H-H2O]+	149.060250	126.9
[M+HCOO]-	211.061191	152.9
[M+CH3COO]-	225.076841	175.7
[M+Na-2H]-	187.037656	135.5
[M]+	166.06244142	131.8
[M]-	166.06353858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe