CID 69131857

Galaxolidone

Structural Information

Molecular Formula
C18H24O2
SMILES
CC1COC(=O)C2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
InChI
InChI=1S/C18H24O2/c1-10-9-20-16(19)13-8-15-14(7-12(10)13)17(3,4)11(2)18(15,5)6/h7-8,10-11H,9H2,1-6H3
InChIKey
PGMHPYRIXBRRQD-UHFFFAOYSA-N
Compound name
4,6,6,7,8,8-hexamethyl-4,7-dihydro-3H-cyclopenta[g]isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

272.17764 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18492 162.5
[M+Na]+ 295.16686 175.7
[M+NH4]+ 290.21146 174.9
[M+K]+ 311.14080 166.6
[M-H]- 271.17036 166.9
[M+Na-2H]- 293.15231 167.7
[M]+ 272.17709 166.1
[M]- 272.17819 166.1
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