CID 131505929

1-(2-methoxy-2-oxoethyl)-4-methyl-1h-imidazole-5-carboxylic acid hydrochloride

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]+ 199.071336 139.6
[M+Na]+ 221.053278 148.6
[M-H]- 197.056784 139.9
[M+NH4]+ 216.097883 157.5
[M+K]+ 237.027218 148.0
[M+H-H2O]+ 181.061320 133.1
[M+HCOO]- 243.062261 160.4
[M+CH3COO]- 257.077911 181.0
[M+Na-2H]- 219.038726 141.8
[M]+ 198.06351142 142.7
[M]- 198.06460858 142.7
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.