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]+ 213.086986 146.7
[M+Na]+ 235.068928 153.8
[M-H]- 211.072434 147.2
[M+NH4]+ 230.113533 163.1
[M+K]+ 251.042868 154.3
[M+H-H2O]+ 195.076970 134.4
[M+HCOO]- 257.077911 165.7
[M+CH3COO]- 271.093561 199.2
[M+Na-2H]- 233.054376 148.7
[M]+ 212.07916142 144.3
[M]- 212.08025858 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