CID 11265571

Ethyl 7-bromo-2,2-dimethylheptanoate

Structural Information

Molecular Formula
C11H21BrO2
SMILES
CCOC(=O)C(C)(C)CCCCCBr
InChI
InChI=1S/C11H21BrO2/c1-4-14-10(13)11(2,3)8-6-5-7-9-12/h4-9H2,1-3H3
InChIKey
SYRIIFZUZOIRNU-UHFFFAOYSA-N
Compound name
ethyl 7-bromo-2,2-dimethylheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

264.07248 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07976 156.2
[M+Na]+ 287.06170 156.3
[M+NH4]+ 282.10630 159.4
[M+K]+ 303.03564 156.8
[M-H]- 263.06520 153.4
[M+Na-2H]- 285.04715 155.6
[M]+ 264.07193 154.1
[M]- 264.07303 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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