CID 116860949

Tert-butyl (1-(2-bromophenyl)-2-hydroxyethyl)carbamate

Structural Information

Molecular Formula
C13H18BrNO3
SMILES
CC(C)(C)OC(=O)NC(CO)C1=CC=CC=C1Br
InChI
InChI=1S/C13H18BrNO3/c1-13(2,3)18-12(17)15-11(8-16)9-6-4-5-7-10(9)14/h4-7,11,16H,8H2,1-3H3,(H,15,17)
InChIKey
SDRZSNGNUGHJPW-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(2-bromophenyl)-2-hydroxyethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.047 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05428 163.4
[M+Na]+ 338.03622 163.6
[M+NH4]+ 333.08082 166.1
[M+K]+ 354.01016 165.5
[M-H]- 314.03972 162.2
[M+Na-2H]- 336.02167 164.5
[M]+ 315.04645 161.7
[M]- 315.04755 161.7
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