CID 78385403

Furanofukinin

Structural Information

Molecular Formula
C16H24O2
SMILES
CC1CCCC2C1(C(C3=C(C2)OC=C3C)OC)C
InChI
InChI=1S/C16H24O2/c1-10-9-18-13-8-12-7-5-6-11(2)16(12,3)15(17-4)14(10)13/h9,11-12,15H,5-8H2,1-4H3
InChIKey
JRLLKNNCOWNIBL-UHFFFAOYSA-N
Compound name
4-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

248.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 158.1
[M+Na]+ 271.16685 165.9
[M-H]- 247.17035 163.8
[M+NH4]+ 266.21145 180.7
[M+K]+ 287.14079 163.6
[M+H-H2O]+ 231.17489 153.0
[M+HCOO]- 293.17583 174.3
[M+CH3COO]- 307.19148 197.0
[M+Na-2H]- 269.15230 161.3
[M]+ 248.17708 158.2
[M]- 248.17818 158.2
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