CID 72212362

1060813-12-8

Structural Information

Molecular Formula
C11H15BrN2O2
SMILES
CC(C)(C)OC(=O)NCC1=NC=CC(=C1)Br
InChI
InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14-7-9-6-8(12)4-5-13-9/h4-6H,7H2,1-3H3,(H,14,15)
InChIKey
DIMMBUVDRRUSNY-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-bromopyridin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

286.03168 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03896 156.8
[M+Na]+ 309.02090 166.9
[M-H]- 285.02440 161.7
[M+NH4]+ 304.06550 174.9
[M+K]+ 324.99484 156.2
[M+H-H2O]+ 269.02894 155.6
[M+HCOO]- 331.02988 176.0
[M+CH3COO]- 345.04553 197.8
[M+Na-2H]- 307.00635 163.9
[M]+ 286.03113 176.7
[M]- 286.03223 176.7
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