CID 37818525

Methyl 4-bromo-1h-pyrrolo[3,2-c]pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
COC(=O)C1=CC2=C(N1)C=CN=C2Br
InChI
InChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-5-6(12-7)2-3-11-8(5)10/h2-4,12H,1H3
InChIKey
ITZFLYIVVIQWBD-UHFFFAOYSA-N
Compound name
methyl 4-bromo-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.96909 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.976366 144.5
[M+Na]+ 276.958308 158.5
[M-H]- 252.961814 148.9
[M+NH4]+ 272.002913 165.2
[M+K]+ 292.932248 147.2
[M+H-H2O]+ 236.966350 144.3
[M+HCOO]- 298.967291 164.4
[M+CH3COO]- 312.982941 187.1
[M+Na-2H]- 274.943756 152.1
[M]+ 253.96854142 165.3
[M]- 253.96963858 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.