CID 71403313

77362-39-1

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]+ 171.076416 135.3
[M+Na]+ 193.058358 143.1
[M-H]- 169.061864 136.0
[M+NH4]+ 188.102963 153.3
[M+K]+ 209.032298 143.6
[M+H-H2O]+ 153.066400 123.4
[M+HCOO]- 215.067341 155.5
[M+CH3COO]- 229.082991 193.1
[M+Na-2H]- 191.043806 139.5
[M]+ 170.06859142 132.4
[M]- 170.06968858 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.