CID 12488879

Methyl 3-hydroxy-2-methylbenzoate

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

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

InChIKey

PJSKJGYGIBLIAS-UHFFFAOYSA-N

Compound name

methyl 3-hydroxy-2-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 668
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	131.6
[M+Na]+	189.052208	140.5
[M-H]-	165.055714	134.7
[M+NH4]+	184.096813	152.1
[M+K]+	205.026148	139.3
[M+H-H2O]+	149.060250	126.6
[M+HCOO]-	211.061191	154.7
[M+CH3COO]-	225.076841	176.3
[M+Na-2H]-	187.037656	136.8
[M]+	166.06244142	133.4
[M]-	166.06353858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe