CID 91163

Ethyl 2-acetyldecanoate

Structural Information

Molecular Formula
C14H26O3
SMILES
CCCCCCCCC(C(=O)C)C(=O)OCC
InChI
InChI=1S/C14H26O3/c1-4-6-7-8-9-10-11-13(12(3)15)14(16)17-5-2/h13H,4-11H2,1-3H3
InChIKey
APTZVOCKCUIHMY-UHFFFAOYSA-N
Compound name
ethyl 2-acetyldecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

242.1882 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.195476 162.7
[M+Na]+ 265.177418 166.7
[M-H]- 241.180924 161.9
[M+NH4]+ 260.222023 180.3
[M+K]+ 281.151358 165.9
[M+H-H2O]+ 225.185460 156.9
[M+HCOO]- 287.186401 182.1
[M+CH3COO]- 301.202051 197.2
[M+Na-2H]- 263.162866 161.9
[M]+ 242.18765142 168.0
[M]- 242.18874858 168.0
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