CID 13819150

3-(2-methylpropanoyloxy)-8-(3-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene

Structural Information

Molecular Formula
C19H26O5
SMILES
CC1=CC(=C(C=C1)C2(CO2)COC(=O)CC(C)C)OC(=O)C(C)C
InChI
InChI=1S/C19H26O5/c1-12(2)8-17(20)22-10-19(11-23-19)15-7-6-14(5)9-16(15)24-18(21)13(3)4/h6-7,9,12-13H,8,10-11H2,1-5H3
InChIKey
QVGMYLIEMRLBGN-UHFFFAOYSA-N
Compound name
[2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.178 Da
Monoisotopic Mass

3.5
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

No patent data available for this compound.