CID 109985

Dtxsid0071384

Structural Information

Molecular Formula
C18H24O
SMILES
CC=CC(=O)C1=CC2=C(C=C1C)C(CC2(C)C)(C)C
InChI
InChI=1S/C18H24O/c1-7-8-16(19)13-10-15-14(9-12(13)2)17(3,4)11-18(15,5)6/h7-10H,11H2,1-6H3
InChIKey
VHGRISIIWCHDBX-UHFFFAOYSA-N
Compound name
1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1827 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18998 161.6
[M+Na]+ 279.17192 173.8
[M+NH4]+ 274.21652 173.1
[M+K]+ 295.14586 164.3
[M-H]- 255.17542 163.8
[M+Na-2H]- 277.15737 168.1
[M]+ 256.18215 164.4
[M]- 256.18325 164.4
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.