CID 95581

Ethyl 2-bromodecanoate

Structural Information

Molecular Formula
C12H23BrO2
SMILES
CCCCCCCCC(C(=O)OCC)Br
InChI
InChI=1S/C12H23BrO2/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h11H,3-10H2,1-2H3
InChIKey
IOOXHTJCOQWOJW-UHFFFAOYSA-N
Compound name
ethyl 2-bromodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

278.08813 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09541 162.9
[M+Na]+ 301.07735 171.1
[M-H]- 277.08085 164.9
[M+NH4]+ 296.12195 182.7
[M+K]+ 317.05129 160.5
[M+H-H2O]+ 261.08539 162.4
[M+HCOO]- 323.08633 181.0
[M+CH3COO]- 337.10198 198.7
[M+Na-2H]- 299.06280 165.3
[M]+ 278.08758 185.3
[M]- 278.08868 185.3
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.