CID 50933

2-amyldihydroglyoxaline acid oxalate

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CCCCCC1=NC=CN1OC(=O)C(=O)O
InChI
InChI=1S/C10H14N2O4/c1-2-3-4-5-8-11-6-7-12(8)16-10(15)9(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKey
KHALCBUIXMVBKG-UHFFFAOYSA-N
Compound name
2-oxo-2-(2-pentylimidazol-1-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09535 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 149.7
[M+Na]+ 249.084568 157.0
[M-H]- 225.088074 149.4
[M+NH4]+ 244.129173 166.2
[M+K]+ 265.058508 155.9
[M+H-H2O]+ 209.092610 142.5
[M+HCOO]- 271.093551 169.9
[M+CH3COO]- 285.109201 185.1
[M+Na-2H]- 247.070016 151.5
[M]+ 226.09480142 153.1
[M]- 226.09589858 153.1
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.