CID 221795

2-cyanoethyl n-phenylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)NC(=O)OCCC#N

InChI

InChI=1S/C10H10N2O2/c11-7-4-8-14-10(13)12-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2,(H,12,13)

InChIKey

FWJPVEDCJHXQIJ-UHFFFAOYSA-N

Compound name

2-cyanoethyl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 190.07423 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]+	191.08151	144.9
[M+Na]+	213.06345	155.3
[M+NH4]+	208.10805	148.9
[M+K]+	229.03739	146.3
[M-H]-	189.06695	139.3
[M+Na-2H]-	211.04890	148.5
[M]+	190.07368	143.7
[M]-	190.07478	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe