CID 155233

69353-22-6

Structural Information

Molecular Formula
C22H30O3
SMILES
CC1CCCC23C1(CCC4(C2C(C5=C(C=C(C=C5O4)C)O)OC3)C)C
InChI
InChI=1S/C22H30O3/c1-13-10-15(23)17-16(11-13)25-21(4)9-8-20(3)14(2)6-5-7-22(20)12-24-18(17)19(21)22/h10-11,14,18-19,23H,5-9,12H2,1-4H3
InChIKey
ZRYSTCPCSAHYEO-UHFFFAOYSA-N
Compound name
8,12,15,16-tetramethyl-3,11-dioxapentacyclo[10.7.1.01,15.04,20.05,10]icosa-5,7,9-trien-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.21948 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.226756 180.9
[M+Na]+ 365.208698 188.1
[M-H]- 341.212204 186.8
[M+NH4]+ 360.253303 202.7
[M+K]+ 381.182638 184.6
[M+H-H2O]+ 325.216740 173.2
[M+HCOO]- 387.217681 187.6
[M+CH3COO]- 401.233331 190.4
[M+Na-2H]- 363.194146 184.4
[M]+ 342.21893142 179.2
[M]- 342.22002858 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.