CID 155977897

Tert-butyl n-[(3s)-1-bromo-4,4-dimethylpentan-3-yl]carbamate

Structural Information

Molecular Formula
C12H24BrNO2
SMILES
CC(C)(C)[C@H](CCBr)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H24BrNO2/c1-11(2,3)9(7-8-13)14-10(15)16-12(4,5)6/h9H,7-8H2,1-6H3,(H,14,15)/t9-/m0/s1
InChIKey
ZTQFXJZJKGDUEL-VIFPVBQESA-N
Compound name
tert-butyl N-[(3S)-1-bromo-4,4-dimethylpentan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09903 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10631 166.7
[M+Na]+ 316.08825 174.9
[M-H]- 292.09175 169.2
[M+NH4]+ 311.13285 185.9
[M+K]+ 332.06219 164.8
[M+H-H2O]+ 276.09629 166.5
[M+HCOO]- 338.09723 182.7
[M+CH3COO]- 352.11288 202.0
[M+Na-2H]- 314.07370 170.7
[M]+ 293.09848 186.9
[M]- 293.09958 186.9
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

No patent data available for this compound.