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 151.0
[M+Na]+ 249.08457 159.5
[M+NH4]+ 244.12917 155.5
[M+K]+ 265.05851 158.1
[M-H]- 225.08807 148.2
[M+Na-2H]- 247.07002 152.9
[M]+ 226.09480 150.8
[M]- 226.09590 150.8
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.