CID 6011175

186387-87-1

Structural Information

Molecular Formula

C₉H₁₂N₂O₄

SMILES

CCO/C=C(/C#N)\C(=O)NC(=O)OCC

InChI

InChI=1S/C9H12N2O4/c1-3-14-6-7(5-10)8(12)11-9(13)15-4-2/h6H,3-4H2,1-2H3,(H,11,12,13)/b7-6-

InChIKey

JNZGHWBZWCEXEJ-SREVYHEPSA-N

Compound name

ethyl N-[(Z)-2-cyano-3-ethoxyprop-2-enoyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 212.07971 Da
Monoisotopic Mass: 0.6
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]+	213.08699	148.1
[M+Na]+	235.06893	154.7
[M+NH4]+	230.11353	149.5
[M+K]+	251.04287	148.7
[M-H]-	211.07243	138.4
[M+Na-2H]-	233.05438	146.6
[M]+	212.07916	144.9
[M]-	212.08026	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe