CID 335

O-cresol

Structural Information

Molecular Formula
C7H8O
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
9
Annotation Hits

640
References

228842
Patents

108.05752 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 118.2
[M+Na]+ 131.04674 132.1
[M+NH4]+ 126.09134 128.0
[M+K]+ 147.02068 125.5
[M-H]- 107.05024 120.9
[M+Na-2H]- 129.03219 126.4
[M]+ 108.05697 121.0
[M]- 108.05807 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe