CID 37818525

871583-15-2

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.97637	148.2
[M+Na]+	276.95831	151.8
[M+NH4]+	272.00291	152.1
[M+K]+	292.93225	153.7
[M-H]-	252.96181	147.0
[M+Na-2H]-	274.94376	150.4
[M]+	253.96854	147.0
[M]-	253.96964	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.