CID 354159

22518-07-6

Structural Information

Molecular Formula
C19H26O5
SMILES
CCC(C)C(=O)OCC1(CO1)C2=C(C=C(C=C2)C)OC(=O)C(C)C
InChI
InChI=1S/C19H26O5/c1-6-14(5)18(21)22-10-19(11-23-19)15-8-7-13(4)9-16(15)24-17(20)12(2)3/h7-9,12,14H,6,10-11H2,1-5H3
InChIKey
DBEFONQGRSUFQO-UHFFFAOYSA-N
Compound name
[2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

88
Patents

334.178 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18528 179.2
[M+Na]+ 357.16722 190.7
[M+NH4]+ 352.21182 186.5
[M+K]+ 373.14116 186.6
[M-H]- 333.17072 188.4
[M+Na-2H]- 355.15267 186.2
[M]+ 334.17745 184.6
[M]- 334.17855 184.6
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