CID 49837846

Chebi:142970

Structural Information

Molecular Formula
C8H14N2O6
SMILES
C(CNC(=O)C[C@](CC(=O)O)(C(=O)O)O)N
InChI
InChI=1S/C8H14N2O6/c9-1-2-10-5(11)3-8(16,7(14)15)4-6(12)13/h16H,1-4,9H2,(H,10,11)(H,12,13)(H,14,15)/t8-/m0/s1
InChIKey
KQWWDTIPDRWKGZ-QMMMGPOBSA-N
Compound name
(2S)-2-[2-(2-aminoethylamino)-2-oxoethyl]-2-hydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08519 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09247 149.1
[M+Na]+ 257.07441 152.5
[M-H]- 233.07791 144.4
[M+NH4]+ 252.11901 163.2
[M+K]+ 273.04835 152.2
[M+H-H2O]+ 217.08245 143.6
[M+HCOO]- 279.08339 166.5
[M+CH3COO]- 293.09904 187.8
[M+Na-2H]- 255.05986 150.4
[M]+ 234.08464 146.6
[M]- 234.08574 146.6
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.