CID 46173773

O-oxalylhomoserine

Structural Information

Molecular Formula
C6H9NO6
SMILES
C(COC(=O)C(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C6H9NO6/c7-3(4(8)9)1-2-13-6(12)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-/m0/s1
InChIKey
VKKDEHWBBKSWQQ-VKHMYHEASA-N
Compound name
(2S)-2-amino-4-oxalooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

191.04298 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.050256 137.8
[M+Na]+ 214.032198 143.0
[M-H]- 190.035704 134.8
[M+NH4]+ 209.076803 154.7
[M+K]+ 230.006138 143.7
[M+H-H2O]+ 174.040240 132.5
[M+HCOO]- 236.041181 156.9
[M+CH3COO]- 250.056831 178.5
[M+Na-2H]- 212.017646 138.0
[M]+ 191.04243142 137.1
[M]- 191.04352858 137.1
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.