CID 77662

3-ethylphenyl n-methylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCC1=CC(=CC=C1)OC(=O)NC

InChI

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

InChIKey

OVFHLBQEDQHIGJ-UHFFFAOYSA-N

Compound name

(3-ethylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 179.09464 Da
Monoisotopic Mass: 2.2
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	138.2
[M+Na]+	202.08386	145.4
[M-H]-	178.08736	142.1
[M+NH4]+	197.12846	158.2
[M+K]+	218.05780	144.1
[M+H-H2O]+	162.09190	132.1
[M+HCOO]-	224.09284	163.2
[M+CH3COO]-	238.10849	183.0
[M+Na-2H]-	200.06931	144.2
[M]+	179.09409	139.5
[M]-	179.09519	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe