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

56
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 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

No literature data available for this compound.

Patent stripe

patents stripe