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

24
Patents

128.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 124.1
[M+Na]+ 151.047798 132.8
[M-H]- 127.051304 126.4
[M+NH4]+ 146.092403 144.4
[M+K]+ 167.021738 134.7
[M+H-H2O]+ 111.055840 112.5
[M+HCOO]- 173.056781 145.8
[M+CH3COO]- 187.072431 189.1
[M+Na-2H]- 149.033246 129.8
[M]+ 128.05803142 121.6
[M]- 128.05912858 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