CID 308069

2-phenoxyethyl methylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CNC(=O)OCCOC1=CC=CC=C1

InChI

InChI=1S/C10H13NO3/c1-11-10(12)14-8-7-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)

InChIKey

XWYAEJCEJFWSNX-UHFFFAOYSA-N

Compound name

2-phenoxyethyl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 195.08954 Da
Monoisotopic Mass: 1.6
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]+	196.09682	141.5
[M+Na]+	218.07876	147.6
[M-H]-	194.08226	144.9
[M+NH4]+	213.12336	160.5
[M+K]+	234.05270	146.9
[M+H-H2O]+	178.08680	134.9
[M+HCOO]-	240.08774	166.7
[M+CH3COO]-	254.10339	183.9
[M+Na-2H]-	216.06421	148.2
[M]+	195.08899	143.8
[M]-	195.09009	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe