CID 165655119

2751616-16-5

Structural Information

Molecular Formula
C11H15BrN2O2
SMILES
CCOC(=O)CC1=C2CCCCN2C(=N1)Br
InChI
InChI=1S/C11H15BrN2O2/c1-2-16-10(15)7-8-9-5-3-4-6-14(9)11(12)13-8/h2-7H2,1H3
InChIKey
MIULMRFWOCUKFK-UHFFFAOYSA-N
Compound name
ethyl 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03168 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03896 158.5
[M+Na]+ 309.02090 169.2
[M-H]- 285.02440 162.7
[M+NH4]+ 304.06550 178.3
[M+K]+ 324.99484 158.9
[M+H-H2O]+ 269.02894 157.6
[M+HCOO]- 331.02988 175.0
[M+CH3COO]- 345.04553 196.0
[M+Na-2H]- 307.00635 162.6
[M]+ 286.03113 177.6
[M]- 286.03223 177.6
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.