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 172.8
[M+Na]+ 347.18288 182.7
[M-H]- 323.18638 179.2
[M+NH4]+ 342.22748 194.1
[M+K]+ 363.15682 181.5
[M+H-H2O]+ 307.19092 172.4
[M+HCOO]- 369.19186 183.2
[M+CH3COO]- 383.20751 208.8
[M+Na-2H]- 345.16833 176.3
[M]+ 324.19311 180.1
[M]- 324.19421 180.1
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.