CID 71403313

Ethyl (3-cyano-2-oxopropyl)carbamate

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CCOC(=O)NCC(=O)CC#N
InChI
InChI=1S/C7H10N2O3/c1-2-12-7(11)9-5-6(10)3-4-8/h2-3,5H2,1H3,(H,9,11)
InChIKey
RJRIMGSKOBPMRX-UHFFFAOYSA-N
Compound name
ethyl N-(3-cyano-2-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 135.3
[M+Na]+ 193.05836 143.1
[M-H]- 169.06186 136.0
[M+NH4]+ 188.10296 153.3
[M+K]+ 209.03230 143.6
[M+H-H2O]+ 153.06640 123.4
[M+HCOO]- 215.06734 155.5
[M+CH3COO]- 229.08299 193.1
[M+Na-2H]- 191.04381 139.5
[M]+ 170.06859 132.4
[M]- 170.06969 132.4
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

No patent data available for this compound.