CID 130038537

Methyl 8-bromoimidazo[1,2-a]pyridine-3-carboxylate

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
COC(=O)C1=CN=C2N1C=CC=C2Br
InChI
InChI=1S/C9H7BrN2O2/c1-14-9(13)7-5-11-8-6(10)3-2-4-12(7)8/h2-5H,1H3
InChIKey
HABCACFGQHBGPE-UHFFFAOYSA-N
Compound name
methyl 8-bromoimidazo[1,2-a]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.96909 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 143.6
[M+Na]+ 276.95831 158.1
[M-H]- 252.96181 149.3
[M+NH4]+ 272.00291 165.0
[M+K]+ 292.93225 147.7
[M+H-H2O]+ 236.96635 143.2
[M+HCOO]- 298.96729 165.0
[M+CH3COO]- 312.98294 189.5
[M+Na-2H]- 274.94376 151.7
[M]+ 253.96854 166.2
[M]- 253.96964 166.2
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.