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

471
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

literature stripe

Patent stripe

patents stripe