CID 335

O-cresol

Structural Information

Molecular Formula

SMILES

CC1=CC=CC=C1O

InChI

InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

InChIKey

QWVGKYWNOKOFNN-UHFFFAOYSA-N

Compound name

2-methylphenol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 641
References: 177142
Patents: 108.05752 Da
Monoisotopic Mass: 2.0
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]+	109.06480	117.5
[M+Na]+	131.04674	126.4
[M-H]-	107.05024	120.5
[M+NH4]+	126.09134	140.2
[M+K]+	147.02068	124.7
[M+H-H2O]+	91.054780	113.0
[M+HCOO]-	153.05572	141.6
[M+CH3COO]-	167.07137	165.7
[M+Na-2H]-	129.03219	125.9
[M]+	108.05697	116.7
[M]-	108.05807	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe