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

6
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

patents stripe