CID 258806

Ethyl n-cyanoacetimidate

Structural Information

Molecular Formula
C5H8N2O
SMILES
CCOC(=NC#N)C
InChI
InChI=1S/C5H8N2O/c1-3-8-5(2)7-4-6/h3H2,1-2H3
InChIKey
PLVWUINOWYHRAA-UHFFFAOYSA-N
Compound name
ethyl N-cyanoethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

112.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 124.4
[M+Na]+ 135.05288 134.0
[M+NH4]+ 130.09748 128.9
[M+K]+ 151.02682 125.9
[M-H]- 111.05638 117.5
[M+Na-2H]- 133.03833 126.6
[M]+ 112.06311 122.7
[M]- 112.06421 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe