CID 18008069

3-(hydroxymethyl)-5-methylphenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

138.06808 Da
Monoisotopic Mass

1.1
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