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

169
Patents

112.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 120.7
[M+Na]+ 135.052878 129.7
[M-H]- 111.056384 123.0
[M+NH4]+ 130.097483 141.7
[M+K]+ 151.026818 130.7
[M+H-H2O]+ 95.060920 109.3
[M+HCOO]- 157.061861 143.1
[M+CH3COO]- 171.077511 186.5
[M+Na-2H]- 133.038326 127.6
[M]+ 112.06311142 117.5
[M]- 112.06420858 117.5
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