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

66
Patents

334.178 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.185276 176.8
[M+Na]+ 357.167218 184.0
[M-H]- 333.170724 184.8
[M+NH4]+ 352.211823 186.8
[M+K]+ 373.141158 184.0
[M+H-H2O]+ 317.175260 170.6
[M+HCOO]- 379.176201 194.8
[M+CH3COO]- 393.191851 214.3
[M+Na-2H]- 355.152666 176.9
[M]+ 334.17745142 186.7
[M]- 334.17854858 186.7
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