CID 75802

N-methyl-n-phenylurethane

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCOC(=O)N(C)C1=CC=CC=C1

InChI

InChI=1S/C10H13NO2/c1-3-13-10(12)11(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3

InChIKey

QHGZFCAIXRVHID-UHFFFAOYSA-N

Compound name

ethyl N-methyl-N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 291
Patents: 179.09464 Da
Monoisotopic Mass: 2.1
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]+	180.10192	138.8
[M+Na]+	202.08386	150.3
[M+NH4]+	197.12846	147.1
[M+K]+	218.05780	144.6
[M-H]-	178.08736	141.3
[M+Na-2H]-	200.06931	145.9
[M]+	179.09409	141.0
[M]-	179.09519	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe