CID 55288987

(3-nitroamino)alanine

Structural Information

Molecular Formula
C3H7N3O4
SMILES
C(C(C(=O)O)N)N[N+](=O)[O-]
InChI
InChI=1S/C3H7N3O4/c4-2(3(7)8)1-5-6(9)10/h2,5H,1,4H2,(H,7,8)
InChIKey
QMXHUFVYJLFLRY-UHFFFAOYSA-N
Compound name
2-amino-3-nitramidopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.04366 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05094 124.0
[M+Na]+ 172.03288 129.0
[M-H]- 148.03638 122.6
[M+NH4]+ 167.07748 142.3
[M+K]+ 188.00682 125.6
[M+H-H2O]+ 132.04092 123.2
[M+HCOO]- 194.04186 148.5
[M+CH3COO]- 208.05751 169.9
[M+Na-2H]- 170.01833 130.1
[M]+ 149.04311 119.1
[M]- 149.04421 119.1
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.