CID 438268

Nsc630147

Structural Information

Molecular Formula
C3H7N3O3
SMILES
CC(C(=O)N)N[N+](=O)[O-]
InChI
InChI=1S/C3H7N3O3/c1-2(3(4)7)5-6(8)9/h2,5H,1H3,(H2,4,7)
InChIKey
XEDBNFGESPJTJH-UHFFFAOYSA-N
Compound name
2-nitramidopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.04874 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.05602 121.7
[M+Na]+ 156.03796 127.4
[M-H]- 132.04146 121.9
[M+NH4]+ 151.08256 141.6
[M+K]+ 172.01190 124.4
[M+H-H2O]+ 116.04600 121.1
[M+HCOO]- 178.04694 147.6
[M+CH3COO]- 192.06259 170.4
[M+Na-2H]- 154.02341 128.2
[M]+ 133.04819 117.4
[M]- 133.04929 117.4
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.