CID 155943693

Ethyl6-bromo-4,4-dimethylhexanoate

Structural Information

Molecular Formula
C10H19BrO2
SMILES
CCOC(=O)CCC(C)(C)CCBr
InChI
InChI=1S/C10H19BrO2/c1-4-13-9(12)5-6-10(2,3)7-8-11/h4-8H2,1-3H3
InChIKey
FSEOTANEGFTIQD-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-4,4-dimethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.05684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06412 151.7
[M+Na]+ 273.04606 152.0
[M+NH4]+ 268.09066 155.1
[M+K]+ 289.02000 152.8
[M-H]- 249.04956 149.0
[M+Na-2H]- 271.03151 151.4
[M]+ 250.05629 149.7
[M]- 250.05739 149.7
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.