CID 76849221

Tert-butyl (2-amino-6-bromophenyl)carbamate

Structural Information

Molecular Formula
C11H15BrN2O2
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC=C1Br)N
InChI
InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14-9-7(12)5-4-6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15)
InChIKey
VQSGCPJZDGFDJL-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-6-bromophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03168 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03896 157.8
[M+Na]+ 309.02090 167.7
[M-H]- 285.02440 163.7
[M+NH4]+ 304.06550 176.7
[M+K]+ 324.99484 156.6
[M+H-H2O]+ 269.02894 156.4
[M+HCOO]- 331.02988 178.3
[M+CH3COO]- 345.04553 200.6
[M+Na-2H]- 307.00635 163.1
[M]+ 286.03113 175.6
[M]- 286.03223 175.6
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.