CID 480254

2-(hydroxymethyl)-6-methylphenol

Structural Information

Molecular Formula
C8H10O2
SMILES
CC1=C(C(=CC=C1)CO)O
InChI
InChI=1S/C8H10O2/c1-6-3-2-4-7(5-9)8(6)10/h2-4,9-10H,5H2,1H3
InChIKey
VUEKJJIFJWIRJO-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

169
Patents

138.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 125.8
[M+Na]+ 161.057298 134.7
[M-H]- 137.060804 127.5
[M+NH4]+ 156.101903 146.8
[M+K]+ 177.031238 132.3
[M+H-H2O]+ 121.065340 121.3
[M+HCOO]- 183.066281 148.2
[M+CH3COO]- 197.081931 169.3
[M+Na-2H]- 159.042746 132.3
[M]+ 138.06753142 125.3
[M]- 138.06862858 125.3
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