CID 132312634

5-bromo-1-methyl-1h-pyrrolo[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
CN1C(=CC2=CC(=CN=C21)Br)C(=O)O
InChI
InChI=1S/C9H7BrN2O2/c1-12-7(9(13)14)3-5-2-6(10)4-11-8(5)12/h2-4H,1H3,(H,13,14)
InChIKey
MBWXOHZVAYGBBP-UHFFFAOYSA-N
Compound name
5-bromo-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.96909 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.976366 144.0
[M+Na]+ 276.958308 158.7
[M-H]- 252.961814 148.7
[M+NH4]+ 272.002913 164.8
[M+K]+ 292.932248 147.4
[M+H-H2O]+ 236.966350 143.9
[M+HCOO]- 298.967291 163.8
[M+CH3COO]- 312.982941 188.9
[M+Na-2H]- 274.943756 151.0
[M]+ 253.96854142 165.2
[M]- 253.96963858 165.2
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

patents stripe