CID 139594825

Ns00000920

Structural Information

Molecular Formula
C5H9N3O4
SMILES
CN/C(=C\[N+](=O)[O-])/NCC(=O)O
InChI
InChI=1S/C5H9N3O4/c1-6-4(3-8(11)12)7-2-5(9)10/h3,6-7H,2H2,1H3,(H,9,10)/b4-3+
InChIKey
DVQLEYGIANQBIE-ONEGZZNKSA-N
Compound name
2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.05931 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.066586 132.4
[M+Na]+ 198.048528 137.0
[M-H]- 174.052034 131.3
[M+NH4]+ 193.093133 150.0
[M+K]+ 214.022468 132.7
[M+H-H2O]+ 158.056570 131.4
[M+HCOO]- 220.057511 157.1
[M+CH3COO]- 234.073161 174.9
[M+Na-2H]- 196.033976 138.5
[M]+ 175.05876142 128.5
[M]- 175.05985858 128.5
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.