CID 344888

2-cyano-2,2-dimethylacetamide

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC(C)(C#N)C(=O)N
InChI
InChI=1S/C5H8N2O/c1-5(2,3-6)4(7)8/h1-2H3,(H2,7,8)
InChIKey
IQCHZCYHDCDSFI-UHFFFAOYSA-N
Compound name
2-cyano-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

97
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 125.6
[M+Na]+ 135.05288 134.3
[M-H]- 111.05638 126.4
[M+NH4]+ 130.09748 145.6
[M+K]+ 151.02682 134.7
[M+H-H2O]+ 95.060920 114.9
[M+HCOO]- 157.06186 144.5
[M+CH3COO]- 171.07751 184.9
[M+Na-2H]- 133.03833 131.1
[M]+ 112.06311 119.3
[M]- 112.06421 119.3
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