CID 66839

99-69-4

Structural Information

Molecular Formula
C6H10N2O6
SMILES
C(CN(CCC(=O)O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C6H10N2O6/c9-5(10)1-3-7(8(13)14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKey
MXPYFZODOSRODU-UHFFFAOYSA-N
Compound name
3-[2-carboxyethyl(nitro)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

206.05388 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06116 139.0
[M+Na]+ 229.04310 143.6
[M-H]- 205.04660 137.8
[M+NH4]+ 224.08770 155.5
[M+K]+ 245.01704 140.6
[M+H-H2O]+ 189.05114 138.0
[M+HCOO]- 251.05208 161.9
[M+CH3COO]- 265.06773 178.7
[M+Na-2H]- 227.02855 143.5
[M]+ 206.05333 138.6
[M]- 206.05443 138.6
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

No patent data available for this compound.