CID 67450072

(4-bromo-phenyl)-ethyl-carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C13H18BrNO2
SMILES
CCN(C1=CC=C(C=C1)Br)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H18BrNO2/c1-5-15(12(16)17-13(2,3)4)11-8-6-10(14)7-9-11/h6-9H,5H2,1-4H3
InChIKey
JXUDDAATBQEPRW-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-bromophenyl)-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

299.0521 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05938 158.4
[M+Na]+ 322.04132 160.0
[M+NH4]+ 317.08592 162.2
[M+K]+ 338.01526 161.0
[M-H]- 298.04482 158.5
[M+Na-2H]- 320.02677 161.1
[M]+ 299.05155 157.4
[M]- 299.05265 157.4
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