CID 96457

2-aminomalonamide

Structural Information

Molecular Formula
C3H7N3O2
SMILES
C(C(=O)N)(C(=O)N)N
InChI
InChI=1S/C3H7N3O2/c4-1(2(5)7)3(6)8/h1H,4H2,(H2,5,7)(H2,6,8)
InChIKey
GFQBSQXXHYLABK-UHFFFAOYSA-N
Compound name
2-aminopropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

416
Patents

117.053825 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06110 122.5
[M+Na]+ 140.04304 128.2
[M-H]- 116.04655 121.8
[M+NH4]+ 135.08765 142.8
[M+K]+ 156.01698 128.8
[M+H-H2O]+ 100.05108 117.0
[M+HCOO]- 162.05203 146.2
[M+CH3COO]- 176.06768 176.0
[M+Na-2H]- 138.02849 124.5
[M]+ 117.05328 116.5
[M]- 117.05437 116.5
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.