CID 75802

2621-79-6

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

2
Annotation Hits: 1
References: 380
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]+	180.101916	138.5
[M+Na]+	202.083858	144.9
[M-H]-	178.087364	143.5
[M+NH4]+	197.128463	158.9
[M+K]+	218.057798	145.1
[M+H-H2O]+	162.091900	132.0
[M+HCOO]-	224.092841	164.0
[M+CH3COO]-	238.108491	185.3
[M+Na-2H]-	200.069306	144.5
[M]+	179.09409142	140.7
[M]-	179.09518858	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe