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

107
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

literature stripe

Patent stripe

patents stripe