CID 155944000

Tert-butyl n-[(3s)-1-bromo-2-oxohexan-3-yl]carbamate

Structural Information

Molecular Formula
C11H20BrNO3
SMILES
CCC[C@@H](C(=O)CBr)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H20BrNO3/c1-5-6-8(9(14)7-12)13-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,15)/t8-/m0/s1
InChIKey
GMZJDVXXELYUIS-QMMMGPOBSA-N
Compound name
tert-butyl N-[(3S)-1-bromo-2-oxohexan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06265 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06993 163.1
[M+Na]+ 316.05187 171.1
[M-H]- 292.05537 165.5
[M+NH4]+ 311.09647 181.9
[M+K]+ 332.02581 161.3
[M+H-H2O]+ 276.05991 162.4
[M+HCOO]- 338.06085 180.4
[M+CH3COO]- 352.07650 201.3
[M+Na-2H]- 314.03732 165.8
[M]+ 293.06210 183.6
[M]- 293.06320 183.6
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

No patent data available for this compound.