CID 12318664

2-[(1r)-1-hydroxyethyl]phenol

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

C[C@H](C1=CC=CC=C1O)O

InChI

InChI=1S/C8H10O2/c1-6(9)7-4-2-3-5-8(7)10/h2-6,9-10H,1H3/t6-/m1/s1

InChIKey

JVNCFFFHVBWVBR-ZCFIWIBFSA-N

Compound name

2-[(1R)-1-hydroxyethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 138.06808 Da
Monoisotopic Mass: 1.6
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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe