CID 256188

Ethyl 2-cyanoethanecarboximidate

Structural Information

Molecular Formula
C5H8N2O
SMILES
CCOC(=N)CC#N
InChI
InChI=1S/C5H8N2O/c1-2-8-5(7)3-4-6/h7H,2-3H2,1H3
InChIKey
CJTDBBPQNDKTLR-UHFFFAOYSA-N
Compound name
ethyl 2-cyanoethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

112.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 122.0
[M+Na]+ 135.05288 130.6
[M-H]- 111.05638 123.0
[M+NH4]+ 130.09748 142.3
[M+K]+ 151.02682 130.8
[M+H-H2O]+ 95.060920 110.8
[M+HCOO]- 157.06186 143.0
[M+CH3COO]- 171.07751 184.7
[M+Na-2H]- 133.03833 128.4
[M]+ 112.06311 117.2
[M]- 112.06421 117.2
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