CID 137964038

8-formylimidazo[1,2-a]pyridine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CN2C(=CN=C2C(=C1)C=O)C(=O)O
InChI
InChI=1S/C9H6N2O3/c12-5-6-2-1-3-11-7(9(13)14)4-10-8(6)11/h1-5H,(H,13,14)
InChIKey
YQDHUKJQWKAPMN-UHFFFAOYSA-N
Compound name
8-formylimidazo[1,2-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.03784 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 135.4
[M+Na]+ 213.02706 146.7
[M-H]- 189.03056 137.1
[M+NH4]+ 208.07166 154.7
[M+K]+ 229.00100 143.7
[M+H-H2O]+ 173.03510 128.9
[M+HCOO]- 235.03604 158.0
[M+CH3COO]- 249.05169 178.9
[M+Na-2H]- 211.01251 142.2
[M]+ 190.03729 138.5
[M]- 190.03839 138.5
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.