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
2
Annotation Hits

0
References

9
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 160.3
[M+Na]+ 295.16686 171.5
[M-H]- 271.17036 167.2
[M+NH4]+ 290.21146 184.6
[M+K]+ 311.14080 168.2
[M+H-H2O]+ 255.17490 156.1
[M+HCOO]- 317.17584 177.5
[M+CH3COO]- 331.19149 204.0
[M+Na-2H]- 293.15231 163.8
[M]+ 272.17709 163.1
[M]- 272.17819 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.