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 153.4
[M+Na]+ 273.04606 163.1
[M-H]- 249.04956 156.1
[M+NH4]+ 268.09066 174.6
[M+K]+ 289.02000 153.0
[M+H-H2O]+ 233.05410 153.9
[M+HCOO]- 295.05504 171.7
[M+CH3COO]- 309.07069 192.7
[M+Na-2H]- 271.03151 158.8
[M]+ 250.05629 175.3
[M]- 250.05739 175.3
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.