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

387
Patents

116.05858 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.065856 123.2
[M+Na]+ 139.047798 129.3
[M-H]- 115.051304 122.8
[M+NH4]+ 134.092403 144.3
[M+K]+ 155.021738 129.9
[M+H-H2O]+ 99.055840 118.1
[M+HCOO]- 161.056781 146.2
[M+CH3COO]- 175.072431 174.3
[M+Na-2H]- 137.033246 125.6
[M]+ 116.05803142 119.4
[M]- 116.05912858 119.4
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