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

10337
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

literature stripe

Patent stripe

patents stripe