CID 75144733

2-amino-4-oxalooxybutanoic acid

Structural Information

Molecular Formula
C6H9NO6
SMILES
C(COC(=O)C(=O)O)C(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)
InChIKey
VKKDEHWBBKSWQQ-UHFFFAOYSA-N
Compound name
2-amino-4-oxalooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

191.04298 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05026 139.2
[M+Na]+ 214.03220 143.9
[M+NH4]+ 209.07680 142.3
[M+K]+ 230.00614 144.5
[M-H]- 190.03570 133.9
[M+Na-2H]- 212.01765 137.6
[M]+ 191.04243 137.4
[M]- 191.04353 137.4
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

patents stripe