CID 7911

Malonamide

Structural Information

Molecular Formula
C3H6N2O2
SMILES
C(C(=O)N)C(=O)N
InChI
InChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
InChIKey
WRIRWRKPLXCTFD-UHFFFAOYSA-N
Compound name
propanediamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

68
References

10924
Patents

102.04293 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.05021 118.0
[M+Na]+ 125.03215 124.8
[M-H]- 101.03565 117.7
[M+NH4]+ 120.07675 139.7
[M+K]+ 141.00609 125.1
[M+H-H2O]+ 85.040190 113.0
[M+HCOO]- 147.04113 142.3
[M+CH3COO]- 161.05678 170.3
[M+Na-2H]- 123.01760 122.2
[M]+ 102.04238 114.5
[M]- 102.04348 114.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.