CID 13901

N-ethyl-n-phenylurethane

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCN(C1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C11H15NO2/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChIKey

XEFYPTRGVWLMHB-UHFFFAOYSA-N

Compound name

ethyl N-ethyl-N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 159
Patents: 193.11028 Da
Monoisotopic Mass: 2.4
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]+	194.117556	143.3
[M+Na]+	216.099498	149.2
[M-H]-	192.103004	148.1
[M+NH4]+	211.144103	163.1
[M+K]+	232.073438	149.2
[M+H-H2O]+	176.107540	136.6
[M+HCOO]-	238.108481	168.4
[M+CH3COO]-	252.124131	188.4
[M+Na-2H]-	214.084946	148.7
[M]+	193.10973142	145.8
[M]-	193.11082858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe