CID 131377488

Methyl 8-bromo-3-formylimidazo[1,2-a]pyridine-6-carboxylate

Structural Information

Molecular Formula
C10H7BrN2O3
SMILES
COC(=O)C1=CN2C(=CN=C2C(=C1)Br)C=O
InChI
InChI=1S/C10H7BrN2O3/c1-16-10(15)6-2-8(11)9-12-3-7(5-14)13(9)4-6/h2-5H,1H3
InChIKey
MAELLEMRSMBXPW-UHFFFAOYSA-N
Compound name
methyl 8-bromo-3-formylimidazo[1,2-a]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.964 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.971276 148.8
[M+Na]+ 304.953218 163.8
[M-H]- 280.956724 154.7
[M+NH4]+ 299.997823 169.2
[M+K]+ 320.927158 153.2
[M+H-H2O]+ 264.961260 148.4
[M+HCOO]- 326.962201 170.2
[M+CH3COO]- 340.977851 194.6
[M+Na-2H]- 302.938666 155.9
[M]+ 281.96345142 172.7
[M]- 281.96454858 172.7
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.