CID 52346

Butanamide, 2-cyano-

Structural Information

Molecular Formula
C5H8N2O
SMILES
CCC(C#N)C(=O)N
InChI
InChI=1S/C5H8N2O/c1-2-4(3-6)5(7)8/h4H,2H2,1H3,(H2,7,8)
InChIKey
QIWORMKRMYXXJC-UHFFFAOYSA-N
Compound name
2-cyanobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

112.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 124.0
[M+Na]+ 135.05288 132.2
[M-H]- 111.05638 124.5
[M+NH4]+ 130.09748 143.8
[M+K]+ 151.02682 132.5
[M+H-H2O]+ 95.060920 112.7
[M+HCOO]- 157.06186 143.4
[M+CH3COO]- 171.07751 185.4
[M+Na-2H]- 133.03833 128.0
[M]+ 112.06311 117.6
[M]- 112.06421 117.6
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