CID 18471703

131118-90-6

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1C(O1)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C11H13NO3/c13-11(12-6-10-8-14-10)15-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)

InChIKey

BKRMSRFJLDEBMT-UHFFFAOYSA-N

Compound name

benzyl N-(oxiran-2-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 207.08954 Da
Monoisotopic Mass: 1.1
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]+	208.09682	143.4
[M+Na]+	230.07876	151.2
[M-H]-	206.08226	151.5
[M+NH4]+	225.12336	155.8
[M+K]+	246.05270	150.2
[M+H-H2O]+	190.08680	136.0
[M+HCOO]-	252.08774	167.7
[M+CH3COO]-	266.10339	188.5
[M+Na-2H]-	228.06421	151.1
[M]+	207.08899	147.9
[M]-	207.09009	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe