CID 11415891

Dtxsid101036251

Structural Information

Molecular Formula
C19H26O4
SMILES
CCOC(=O)C1(CCCC1)OC(=O)CC2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C19H26O4/c1-5-22-18(21)19(8-6-7-9-19)23-17(20)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12H2,1-4H3
InChIKey
LNKZIQLVZGPGJY-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]oxycyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.1831 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19038 177.0
[M+Na]+ 341.17232 186.7
[M+NH4]+ 336.21692 184.7
[M+K]+ 357.14626 181.1
[M-H]- 317.17582 178.7
[M+Na-2H]- 339.15777 181.9
[M]+ 318.18255 178.8
[M]- 318.18365 178.8
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