CID 139026429

2112668-59-2

Structural Information

Molecular Formula
C8H7N3O3
SMILES
COC(=O)C1=CN=CC2=C1NC(=O)N2
InChI
InChI=1S/C8H7N3O3/c1-14-7(12)4-2-9-3-5-6(4)11-8(13)10-5/h2-3H,1H3,(H2,10,11,13)
InChIKey
ZNBRIZGZIJVKDB-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04874 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05602 137.0
[M+Na]+ 216.03796 148.4
[M-H]- 192.04146 136.1
[M+NH4]+ 211.08256 154.2
[M+K]+ 232.01190 144.6
[M+H-H2O]+ 176.04600 130.0
[M+HCOO]- 238.04694 157.0
[M+CH3COO]- 252.06259 175.8
[M+Na-2H]- 214.02341 143.7
[M]+ 193.04819 138.3
[M]- 193.04929 138.3
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.