CID 227804

2-methylmalonamide

Structural Information

Molecular Formula
C4H8N2O2
SMILES
CC(C(=O)N)C(=O)N
InChI
InChI=1S/C4H8N2O2/c1-2(3(5)7)4(6)8/h2H,1H3,(H2,5,7)(H2,6,8)
InChIKey
CGRKYGKHZOCPSZ-UHFFFAOYSA-N
Compound name
2-methylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

116.05858 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.06586 123.3
[M+Na]+ 139.04780 130.1
[M+NH4]+ 134.09240 129.5
[M+K]+ 155.02174 128.2
[M-H]- 115.05130 121.8
[M+Na-2H]- 137.03325 124.9
[M]+ 116.05803 123.1
[M]- 116.05913 123.1
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