CID 3021223

88301-91-1

Structural Information

Molecular Formula
C18H24O
SMILES
CC1CC(=O)C2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
InChI
InChI=1S/C18H24O/c1-10-7-16(19)13-9-15-14(8-12(10)13)17(3,4)11(2)18(15,5)6/h8-11H,7H2,1-6H3
InChIKey
WWKFORUUJNAPKB-UHFFFAOYSA-N
Compound name
3,5,5,6,7,7-hexamethyl-3,6-dihydro-2H-s-indacen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1827 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18998 159.7
[M+Na]+ 279.17192 171.8
[M+NH4]+ 274.21652 172.5
[M+K]+ 295.14586 164.1
[M-H]- 255.17542 162.5
[M+Na-2H]- 277.15737 164.8
[M]+ 256.18215 162.7
[M]- 256.18325 162.7
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.