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

66
Patents

278.08813 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.095406 162.1
[M+Na]+ 301.077348 170.5
[M-H]- 277.080854 164.1
[M+NH4]+ 296.121953 182.0
[M+K]+ 317.051288 159.6
[M+H-H2O]+ 261.085390 161.6
[M+HCOO]- 323.086331 181.1
[M+CH3COO]- 337.101981 198.0
[M+Na-2H]- 299.062796 165.7
[M]+ 278.08758142 185.1
[M]- 278.08867858 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