CID 21874548

220364-34-1

Structural Information

Molecular Formula
C13H18BrNO2
SMILES
CC(C)(C)OC(=O)NCC1=CC(=CC=C1)CBr
InChI
InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-9-11-6-4-5-10(7-11)8-14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKey
ZAWVAHJDHPLCQF-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(bromomethyl)phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

299.0521 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05938 161.0
[M+Na]+ 322.04132 162.4
[M+NH4]+ 317.08592 164.6
[M+K]+ 338.01526 162.8
[M-H]- 298.04482 160.8
[M+Na-2H]- 320.02677 163.3
[M]+ 299.05155 159.9
[M]- 299.05265 159.9
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