CID 7015522

4-(boc-amino)-2-bromopyridine

Structural Information

Molecular Formula
C10H13BrN2O2
SMILES
CC(C)(C)OC(=O)NC1=CC(=NC=C1)Br
InChI
InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-4-5-12-8(11)6-7/h4-6H,1-3H3,(H,12,13,14)
InChIKey
DCYAZECOQNZWBD-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-bromopyridin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

272.01605 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02333 152.2
[M+Na]+ 295.00527 162.7
[M-H]- 271.00877 157.3
[M+NH4]+ 290.04987 170.9
[M+K]+ 310.97921 152.3
[M+H-H2O]+ 255.01331 151.2
[M+HCOO]- 317.01425 171.7
[M+CH3COO]- 331.02990 195.0
[M+Na-2H]- 292.99072 159.8
[M]+ 272.01550 171.8
[M]- 272.01660 171.8
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

patents stripe