CID 15084875

N-(2-cyanoethyl)acetamide

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC(=O)NCCC#N
InChI
InChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6/h2,4H2,1H3,(H,7,8)
InChIKey
BCCCXAYKRGNVFN-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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 124.8
[M+Na]+ 135.05288 133.9
[M+NH4]+ 130.09748 129.0
[M+K]+ 151.02682 126.1
[M-H]- 111.05638 117.4
[M+Na-2H]- 133.03833 126.4
[M]+ 112.06311 122.9
[M]- 112.06421 122.9
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