CID 154881554

2365419-71-0

Structural Information

Molecular Formula
C12H17BrN2O2
SMILES
CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)Br)N
InChI
InChI=1S/C12H17BrN2O2/c1-12(2,3)17-11(16)15-7-8-6-9(13)4-5-10(8)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKey
NQFNAHFFPTVJTD-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-amino-5-bromophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04733 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05461 161.3
[M+Na]+ 323.03655 161.9
[M+NH4]+ 318.08115 164.5
[M+K]+ 339.01049 163.2
[M-H]- 299.04005 161.3
[M+Na-2H]- 321.02200 162.9
[M]+ 300.04678 160.0
[M]- 300.04788 160.0
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.