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]+ 335.18528 176.8
[M+Na]+ 357.16722 184.0
[M-H]- 333.17072 184.8
[M+NH4]+ 352.21182 186.8
[M+K]+ 373.14116 184.0
[M+H-H2O]+ 317.17526 170.6
[M+HCOO]- 379.17620 194.8
[M+CH3COO]- 393.19185 214.3
[M+Na-2H]- 355.15267 176.9
[M]+ 334.17745 186.7
[M]- 334.17855 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.