CID 45783128

1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1(CCCC2(C1CC=C3C2(C(OC3=O)O)O)C)C
InChI
InChI=1S/C15H22O4/c1-13(2)7-4-8-14(3)10(13)6-5-9-11(16)19-12(17)15(9,14)18/h5,10,12,17-18H,4,6-8H2,1-3H3
InChIKey
XLGNZQXMDVSKOV-UHFFFAOYSA-N
Compound name
1,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

266.1518 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.159076 158.5
[M+Na]+ 289.141018 167.2
[M-H]- 265.144524 161.9
[M+NH4]+ 284.185623 182.7
[M+K]+ 305.114958 164.4
[M+H-H2O]+ 249.149060 155.3
[M+HCOO]- 311.150001 170.9
[M+CH3COO]- 325.165651 192.9
[M+Na-2H]- 287.126466 163.7
[M]+ 266.15125142 156.7
[M]- 266.15234858 156.7
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.