CID 89553

(3-phenyloxiranyl)methanol

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C1=CC=C(C=C1)C2C(O2)CO

InChI

InChI=1S/C9H10O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2

InChIKey

PVALSANGMFRTQM-UHFFFAOYSA-N

Compound name

(3-phenyloxiran-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 335
Patents: 150.06808 Da
Monoisotopic Mass: 0.8
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]+	151.075356	127.1
[M+Na]+	173.057298	137.1
[M-H]-	149.060804	134.6
[M+NH4]+	168.101903	141.8
[M+K]+	189.031238	135.7
[M+H-H2O]+	133.065340	120.9
[M+HCOO]-	195.066281	150.2
[M+CH3COO]-	209.081931	176.0
[M+Na-2H]-	171.042746	135.8
[M]+	150.06753142	130.3
[M]-	150.06862858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe