CID 155970382

2639446-69-6

Structural Information

Molecular Formula
C11H15BrN2O2
SMILES
CC(C)(C)OC(=O)C1=CC(=NC=C1NC)Br
InChI
InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)7-5-9(12)14-6-8(7)13-4/h5-6,13H,1-4H3
InChIKey
RCPOKXKUBJWMGO-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-5-(methylamino)pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03168 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03896 156.0
[M+Na]+ 309.02090 166.9
[M-H]- 285.02440 161.3
[M+NH4]+ 304.06550 174.4
[M+K]+ 324.99484 156.3
[M+H-H2O]+ 269.02894 154.9
[M+HCOO]- 331.02988 175.2
[M+CH3COO]- 345.04553 199.5
[M+Na-2H]- 307.00635 162.5
[M]+ 286.03113 176.4
[M]- 286.03223 176.4
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.