CID 5316208

Curcolone

Structural Information

Molecular Formula
C15H18O3
SMILES
CC1=C2C(=O)C3=C(CC2(C(CC1)O)C)OC=C3C
InChI
InChI=1S/C15H18O3/c1-8-4-5-11(16)15(3)6-10-12(9(2)7-18-10)14(17)13(8)15/h7,11,16H,4-6H2,1-3H3
InChIKey
PFIXJSCFTAVWBW-UHFFFAOYSA-N
Compound name
8-hydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydrobenzo[f][1]benzofuran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 153.6
[M+Na]+ 269.11482 163.7
[M-H]- 245.11832 159.0
[M+NH4]+ 264.15942 175.9
[M+K]+ 285.08876 160.6
[M+H-H2O]+ 229.12286 149.4
[M+HCOO]- 291.12380 170.6
[M+CH3COO]- 305.13945 193.8
[M+Na-2H]- 267.10027 157.7
[M]+ 246.12505 154.4
[M]- 246.12615 154.4
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.