CID 413165

34570-17-7

Structural Information

Molecular Formula
C3H7N3O
SMILES
C(C(=N)N)C(=O)N
InChI
InChI=1S/C3H7N3O/c4-2(5)1-3(6)7/h1H2,(H3,4,5)(H2,6,7)
InChIKey
RGXJMLZFKIUGNH-UHFFFAOYSA-N
Compound name
3-amino-3-iminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

273
Patents

101.058914 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.06619 119.0
[M+Na]+ 124.04813 125.0
[M-H]- 100.05164 118.7
[M+NH4]+ 119.09274 140.4
[M+K]+ 140.02207 124.9
[M+H-H2O]+ 84.056174 113.7
[M+HCOO]- 146.05712 144.1
[M+CH3COO]- 160.07276 173.4
[M+Na-2H]- 122.03358 123.4
[M]+ 101.05837 113.3
[M]- 101.05946 113.3
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