CID 109009

Ethyl cyanomethylcarbamate

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CCOC(=O)N(C)C#N
InChI
InChI=1S/C5H8N2O2/c1-3-9-5(8)7(2)4-6/h3H2,1-2H3
InChIKey
UDPCOOPICFDMFC-UHFFFAOYSA-N
Compound name
ethyl N-cyano-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

128.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 124.1
[M+Na]+ 151.04780 132.8
[M-H]- 127.05130 126.4
[M+NH4]+ 146.09240 144.4
[M+K]+ 167.02174 134.7
[M+H-H2O]+ 111.05584 112.5
[M+HCOO]- 173.05678 145.8
[M+CH3COO]- 187.07243 189.1
[M+Na-2H]- 149.03325 129.8
[M]+ 128.05803 121.6
[M]- 128.05913 121.6
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