CID 85179199

(10-hydroxy-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.01,3.04,8]tridecan-9-yl) acetate

Structural Information

Molecular Formula
C18H28O5
SMILES
CC(=O)OC1C2CC(CC2C3(CC34C1(COC4OC)O)C)(C)C
InChI
InChI=1S/C18H28O5/c1-10(19)23-13-11-6-15(2,3)7-12(11)16(4)8-17(16)14(21-5)22-9-18(13,17)20/h11-14,20H,6-9H2,1-5H3
InChIKey
VFJHHENNFQFTOV-UHFFFAOYSA-N
Compound name
(10-hydroxy-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.01,3.04,8]tridecan-9-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.19366 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20094 174.5
[M+Na]+ 347.18288 183.4
[M+NH4]+ 342.22748 187.9
[M+K]+ 363.15682 177.2
[M-H]- 323.18638 183.2
[M+Na-2H]- 345.16833 180.4
[M]+ 324.19311 179.9
[M]- 324.19421 179.9
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.