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]+ 227.10263 149.7
[M+Na]+ 249.08457 157.0
[M-H]- 225.08807 149.4
[M+NH4]+ 244.12917 166.2
[M+K]+ 265.05851 155.9
[M+H-H2O]+ 209.09261 142.5
[M+HCOO]- 271.09355 169.9
[M+CH3COO]- 285.10920 185.1
[M+Na-2H]- 247.07002 151.5
[M]+ 226.09480 153.1
[M]- 226.09590 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.