CID 560452

Ethyl 10-bromodecanoate

Structural Information

Molecular Formula
C12H23BrO2
SMILES
CCOC(=O)CCCCCCCCCBr
InChI
InChI=1S/C12H23BrO2/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h2-11H2,1H3
InChIKey
VWHLKJQERLYMNA-UHFFFAOYSA-N
Compound name
ethyl 10-bromodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

278.08813 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09541 162.1
[M+Na]+ 301.07735 170.5
[M-H]- 277.08085 164.1
[M+NH4]+ 296.12195 182.0
[M+K]+ 317.05129 159.6
[M+H-H2O]+ 261.08539 161.6
[M+HCOO]- 323.08633 181.1
[M+CH3COO]- 337.10198 198.0
[M+Na-2H]- 299.06280 165.7
[M]+ 278.08758 185.1
[M]- 278.08868 185.1
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

patents stripe