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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 149.2
[M+Na]+ 280.98962 160.9
[M-H]- 256.99312 153.8
[M+NH4]+ 276.03422 170.2
[M+K]+ 296.96356 151.0
[M+H-H2O]+ 240.99766 148.8
[M+HCOO]- 302.99860 166.5
[M+CH3COO]- 317.01425 190.4
[M+Na-2H]- 278.97507 154.4
[M]+ 257.99985 167.7
[M]- 258.00095 167.7
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.