CID 165996550

Tert-butyl n-[(1s)-1-(4-bromo-2-hydroxyphenyl)ethyl]carbamate

Structural Information

Molecular Formula
C13H18BrNO3
SMILES
C[C@@H](C1=C(C=C(C=C1)Br)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H18BrNO3/c1-8(15-12(17)18-13(2,3)4)10-6-5-9(14)7-11(10)16/h5-8,16H,1-4H3,(H,15,17)/t8-/m0/s1
InChIKey
MBHVBSVXFKVJKT-QMMMGPOBSA-N
Compound name
tert-butyl N-[(1S)-1-(4-bromo-2-hydroxyphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

315.047 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.054276 165.8
[M+Na]+ 338.036218 175.0
[M-H]- 314.039724 170.6
[M+NH4]+ 333.080823 183.4
[M+K]+ 354.010158 164.2
[M+H-H2O]+ 298.044260 164.9
[M+HCOO]- 360.045201 183.2
[M+CH3COO]- 374.060851 202.5
[M+Na-2H]- 336.021666 169.3
[M]+ 315.04645142 185.0
[M]- 315.04754858 185.0
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