CID 14542189

Tert-butyl n-[(3r)-1-bromo-5-methyl-2-oxohexan-3-yl]carbamate

Structural Information

Molecular Formula
C12H22BrNO3
SMILES
CC(C)C[C@H](C(=O)CBr)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H22BrNO3/c1-8(2)6-9(10(15)7-13)14-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,16)/t9-/m1/s1
InChIKey
SUVXZTLARLVLOJ-SECBINFHSA-N
Compound name
tert-butyl N-[(3R)-1-bromo-5-methyl-2-oxohexan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0783 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08558 162.4
[M+Na]+ 330.06752 160.0
[M+NH4]+ 325.11212 164.0
[M+K]+ 346.04146 163.4
[M-H]- 306.07102 158.5
[M+Na-2H]- 328.05297 160.1
[M]+ 307.07775 159.4
[M]- 307.07885 159.4
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

No patent data available for this compound.