CID 154814432

2551120-39-7

Structural Information

Molecular Formula
C12H17BrN2O2
SMILES
CC(C)(C)OC(=O)C1=CC(=NC=C1N(C)C)Br
InChI
InChI=1S/C12H17BrN2O2/c1-12(2,3)17-11(16)8-6-10(13)14-7-9(8)15(4)5/h6-7H,1-5H3
InChIKey
LHUXPQRNIBBFDM-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-5-(dimethylamino)pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04733 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05461 159.5
[M+Na]+ 323.03655 170.2
[M-H]- 299.04005 166.0
[M+NH4]+ 318.08115 177.9
[M+K]+ 339.01049 160.7
[M+H-H2O]+ 283.04459 158.1
[M+HCOO]- 345.04553 178.8
[M+CH3COO]- 359.06118 205.6
[M+Na-2H]- 321.02200 164.9
[M]+ 300.04678 181.4
[M]- 300.04788 181.4
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.