CID 251143

2-cyano-n,n-dimethylacetamide

Structural Information

Molecular Formula
C5H8N2O
SMILES
CN(C)C(=O)CC#N
InChI
InChI=1S/C5H8N2O/c1-7(2)5(8)3-4-6/h3H2,1-2H3
InChIKey
MATJPVGBSAQWAC-UHFFFAOYSA-N
Compound name
2-cyano-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

466
Patents

112.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 121.8
[M+Na]+ 135.05288 130.5
[M-H]- 111.05638 124.1
[M+NH4]+ 130.09748 142.6
[M+K]+ 151.02682 131.9
[M+H-H2O]+ 95.060920 110.4
[M+HCOO]- 157.06186 143.2
[M+CH3COO]- 171.07751 187.9
[M+Na-2H]- 133.03833 127.5
[M]+ 112.06311 118.1
[M]- 112.06421 118.1
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