CID 78719

2-methoxymalonamide

Structural Information

Molecular Formula
C4H8N2O3
SMILES
COC(C(=O)N)C(=O)N
InChI
InChI=1S/C4H8N2O3/c1-9-2(3(5)7)4(6)8/h2H,1H3,(H2,5,7)(H2,6,8)
InChIKey
ZSPWEJMLRCUCIX-UHFFFAOYSA-N
Compound name
2-methoxypropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

132.0535 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.060776 125.6
[M+Na]+ 155.042718 131.7
[M-H]- 131.046224 125.2
[M+NH4]+ 150.087323 146.0
[M+K]+ 171.016658 132.8
[M+H-H2O]+ 115.050760 120.3
[M+HCOO]- 177.051701 148.9
[M+CH3COO]- 191.067351 176.5
[M+Na-2H]- 153.028166 128.1
[M]+ 132.05295142 123.3
[M]- 132.05404858 123.3
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