CID 84731032

1375302-76-3

Structural Information

Molecular Formula
C12H15BrN2O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)N=C(C=C2)Br
InChI
InChI=1S/C12H15BrN2O2/c1-12(2,3)17-11(16)15-6-8-4-5-10(13)14-9(8)7-15/h4-5H,6-7H2,1-3H3
InChIKey
FNHMWUZWVPZOOH-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.03168 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.03896 162.6
[M+Na]+ 321.02090 164.2
[M+NH4]+ 316.06550 166.1
[M+K]+ 336.99484 166.7
[M-H]- 297.02440 160.9
[M+Na-2H]- 319.00635 163.0
[M]+ 298.03113 161.0
[M]- 298.03223 161.0
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.