CID 12384304

Benzyl n-ethylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCNC(=O)OCC1=CC=CC=C1

InChI

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

InChIKey

AHPJFFOLNINEFK-UHFFFAOYSA-N

Compound name

benzyl N-ethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 785
Patents: 179.09464 Da
Monoisotopic Mass: 2.0
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]+	180.101916	138.7
[M+Na]+	202.083858	144.9
[M-H]-	178.087364	142.1
[M+NH4]+	197.128463	158.4
[M+K]+	218.057798	143.6
[M+H-H2O]+	162.091900	132.3
[M+HCOO]-	224.092841	163.6
[M+CH3COO]-	238.108491	181.8
[M+Na-2H]-	200.069306	145.4
[M]+	179.09409142	139.5
[M]-	179.09518858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe