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: 567
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]+	180.10192	139.2
[M+Na]+	202.08386	150.5
[M+NH4]+	197.12846	147.3
[M+K]+	218.05780	144.3
[M-H]-	178.08736	141.4
[M+Na-2H]-	200.06931	146.0
[M]+	179.09409	141.2
[M]-	179.09519	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe