CID 131505929

2411288-47-4

Structural Information

Molecular Formula
C8H10N2O4
SMILES
CC1=C(N(C=N1)CC(=O)OC)C(=O)O
InChI
InChI=1S/C8H10N2O4/c1-5-7(8(12)13)10(4-9-5)3-6(11)14-2/h4H,3H2,1-2H3,(H,12,13)
InChIKey
ZGNZCDATIACUOC-UHFFFAOYSA-N
Compound name
3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 141.9
[M+Na]+ 221.05328 151.2
[M+NH4]+ 216.09788 146.8
[M+K]+ 237.02722 150.5
[M-H]- 197.05678 139.2
[M+Na-2H]- 219.03873 144.1
[M]+ 198.06351 141.9
[M]- 198.06461 141.9
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.