CID 145944910

2138293-79-3

Structural Information

Molecular Formula
C9H7IN2O2
SMILES
CC1=CC2=NC=C(N2C=C1C(=O)O)I
InChI
InChI=1S/C9H7IN2O2/c1-5-2-8-11-3-7(10)12(8)4-6(5)9(13)14/h2-4H,1H3,(H,13,14)
InChIKey
QKFQRFDSDFYXOB-UHFFFAOYSA-N
Compound name
3-iodo-7-methylimidazo[1,2-a]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.95523 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.96251 141.8
[M+Na]+ 324.94445 146.3
[M-H]- 300.94795 136.7
[M+NH4]+ 319.98905 156.4
[M+K]+ 340.91839 149.0
[M+H-H2O]+ 284.95249 132.0
[M+HCOO]- 346.95343 158.7
[M+CH3COO]- 360.96908 190.1
[M+Na-2H]- 322.92990 135.9
[M]+ 301.95468 142.0
[M]- 301.95578 142.0
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.