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]+ 282.97128 148.8
[M+Na]+ 304.95322 163.8
[M-H]- 280.95672 154.7
[M+NH4]+ 299.99782 169.2
[M+K]+ 320.92716 153.2
[M+H-H2O]+ 264.96126 148.4
[M+HCOO]- 326.96220 170.2
[M+CH3COO]- 340.97785 194.6
[M+Na-2H]- 302.93867 155.9
[M]+ 281.96345 172.7
[M]- 281.96455 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.