CID 539036

N-(cyanomethyl)-n-methylacetamide

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC(=O)N(C)CC#N
InChI
InChI=1S/C5H8N2O/c1-5(8)7(2)4-3-6/h4H2,1-2H3
InChIKey
QITPLPZRGCEKHE-UHFFFAOYSA-N
Compound name
N-(cyanomethyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

69
Patents

112.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 124.3
[M+Na]+ 135.05288 133.7
[M+NH4]+ 130.09748 128.8
[M+K]+ 151.02682 126.3
[M-H]- 111.05638 117.3
[M+Na-2H]- 133.03833 126.2
[M]+ 112.06311 122.6
[M]- 112.06421 122.6
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