CID 3652289

6,6,9,9-tetramethyl-6,7,8,9-tetrahydro-benzocyclohepten-5-one

Structural Information

Molecular Formula
C15H20O
SMILES
CC1(CCC(C(=O)C2=CC=CC=C21)(C)C)C
InChI
InChI=1S/C15H20O/c1-14(2)9-10-15(3,4)13(16)11-7-5-6-8-12(11)14/h5-8H,9-10H2,1-4H3
InChIKey
ASWUSCKQFIURRF-UHFFFAOYSA-N
Compound name
6,6,9,9-tetramethyl-7,8-dihydrobenzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15141 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 143.0
[M+Na]+ 239.14063 154.6
[M+NH4]+ 234.18523 154.4
[M+K]+ 255.11457 145.6
[M-H]- 215.14413 146.1
[M+Na-2H]- 237.12608 151.9
[M]+ 216.15086 146.0
[M]- 216.15196 146.0
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.