CID 14632981

L-oxalylalbizziine

Structural Information

Molecular Formula
C6H9N3O6
SMILES
C(C(C(=O)O)N)NC(=O)NC(=O)C(=O)O
InChI
InChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)
InChIKey
WLHZKQYVDKRZKW-UHFFFAOYSA-N
Compound name
2-amino-3-(oxalocarbamoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.04913 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05641 144.1
[M+Na]+ 242.03835 147.6
[M-H]- 218.04185 141.2
[M+NH4]+ 237.08295 159.0
[M+K]+ 258.01229 148.8
[M+H-H2O]+ 202.04639 137.7
[M+HCOO]- 264.04733 164.4
[M+CH3COO]- 278.06298 188.6
[M+Na-2H]- 240.02380 143.6
[M]+ 219.04858 140.2
[M]- 219.04968 140.2
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.