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

2
Annotation Hits: 0
References: 416
Patents: 117.053825 Da
Monoisotopic Mass: -2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	118.061101	122.5
[M+Na]+	140.043043	128.2
[M-H]-	116.046549	121.8
[M+NH4]+	135.087648	142.8
[M+K]+	156.016983	128.8
[M+H-H2O]+	100.051085	117.0
[M+HCOO]-	162.052026	146.2
[M+CH3COO]-	176.067676	176.0
[M+Na-2H]-	138.028491	124.5
[M]+	117.05327642	116.5
[M]-	117.05437358	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe