CID 11983730

Tert-butyl n-[1-(4-bromophenyl)ethyl]carbamate

Structural Information

Molecular Formula
C13H18BrNO2
SMILES
CC(C1=CC=C(C=C1)Br)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKey
KECPRZHCNCDSET-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-bromophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

669
Patents

299.0521 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05938 163.2
[M+Na]+ 322.04132 172.3
[M-H]- 298.04482 169.2
[M+NH4]+ 317.08592 182.0
[M+K]+ 338.01526 161.7
[M+H-H2O]+ 282.04936 162.4
[M+HCOO]- 344.05030 182.0
[M+CH3COO]- 358.06595 201.8
[M+Na-2H]- 320.02677 167.9
[M]+ 299.05155 182.6
[M]- 299.05265 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe