CID 13542886

3-(1-hydroxyethyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

558
Patents

138.06808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 126.7
[M+Na]+ 161.057298 134.4
[M-H]- 137.060804 128.1
[M+NH4]+ 156.101903 147.3
[M+K]+ 177.031238 132.4
[M+H-H2O]+ 121.065340 122.0
[M+HCOO]- 183.066281 148.1
[M+CH3COO]- 197.081931 169.0
[M+Na-2H]- 159.042746 132.5
[M]+ 138.06753142 125.1
[M]- 138.06862858 125.1
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