CID 131535324

2091023-52-6

Structural Information

Molecular Formula

C₉H₁₁BrN₂O₂

SMILES

COC(=O)C1CCN2C(=CN=C2Br)C1

InChI

InChI=1S/C9H11BrN2O2/c1-14-8(13)6-2-3-12-7(4-6)5-11-9(12)10/h5-6H,2-4H2,1H3

InChIKey

QGPCGCOILDAAFN-UHFFFAOYSA-N

Compound name

methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0004 Da
Monoisotopic Mass: 1.3
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]+	259.007676	149.2
[M+Na]+	280.989618	160.9
[M-H]-	256.993124	153.8
[M+NH4]+	276.034223	170.2
[M+K]+	296.963558	151.0
[M+H-H2O]+	240.997660	148.8
[M+HCOO]-	302.998601	166.5
[M+CH3COO]-	317.014251	190.4
[M+Na-2H]-	278.975066	154.4
[M]+	257.99985142	167.7
[M]-	258.00094858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.