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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 146.7
[M+Na]+ 235.06893 153.8
[M-H]- 211.07243 147.2
[M+NH4]+ 230.11353 163.1
[M+K]+ 251.04287 154.3
[M+H-H2O]+ 195.07697 134.4
[M+HCOO]- 257.07791 165.7
[M+CH3COO]- 271.09356 199.2
[M+Na-2H]- 233.05438 148.7
[M]+ 212.07916 144.3
[M]- 212.08026 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe