CID 75801

Ethyl benzylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCOC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)

InChIKey

XSXLCQLOFRENHC-UHFFFAOYSA-N

Compound name

ethyl N-benzylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 674
Patents: 179.09464 Da
Monoisotopic Mass: 1.7
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]+	180.10192	138.7
[M+Na]+	202.08386	144.9
[M-H]-	178.08736	142.1
[M+NH4]+	197.12846	158.4
[M+K]+	218.05780	143.6
[M+H-H2O]+	162.09190	132.3
[M+HCOO]-	224.09284	163.6
[M+CH3COO]-	238.10849	181.8
[M+Na-2H]-	200.06931	145.4
[M]+	179.09409	139.5
[M]-	179.09519	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe