CID 16244627

939760-50-6

Structural Information

Molecular Formula
C13H19BrN2O2
SMILES
CC(C)(C)OC(=O)NCC(C1=CC=C(C=C1)Br)N
InChI
InChI=1S/C13H19BrN2O2/c1-13(2,3)18-12(17)16-8-11(15)9-4-6-10(14)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,17)
InChIKey
LYLZSAYFVQJEJK-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-2-(4-bromophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.063 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07028 164.7
[M+Na]+ 337.05222 164.5
[M+NH4]+ 332.09682 167.6
[M+K]+ 353.02616 166.1
[M-H]- 313.05572 164.4
[M+Na-2H]- 335.03767 166.0
[M]+ 314.06245 163.2
[M]- 314.06355 163.2
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.