CID 167718322

Tert-butyl 5-bromo-3,3-dimethylpentanoate

Structural Information

Molecular Formula
C11H21BrO2
SMILES
CC(C)(C)OC(=O)CC(C)(C)CCBr
InChI
InChI=1S/C11H21BrO2/c1-10(2,3)14-9(13)8-11(4,5)6-7-12/h6-8H2,1-5H3
InChIKey
BSZHVIHSUDKWPQ-UHFFFAOYSA-N
Compound name
tert-butyl 5-bromo-3,3-dimethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07248 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07976 157.9
[M+Na]+ 287.06170 167.7
[M-H]- 263.06520 160.8
[M+NH4]+ 282.10630 178.6
[M+K]+ 303.03564 157.7
[M+H-H2O]+ 247.06974 158.8
[M+HCOO]- 309.07068 174.3
[M+CH3COO]- 323.08633 195.2
[M+Na-2H]- 285.04715 163.5
[M]+ 264.07193 179.5
[M]- 264.07303 179.5
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.