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]+ 217.158686 144.2
[M+Na]+ 239.140628 151.8
[M-H]- 215.144134 150.3
[M+NH4]+ 234.185233 167.0
[M+K]+ 255.114568 151.8
[M+H-H2O]+ 199.148670 140.3
[M+HCOO]- 261.149611 163.5
[M+CH3COO]- 275.165261 192.6
[M+Na-2H]- 237.126076 150.3
[M]+ 216.15086142 141.5
[M]- 216.15195858 141.5
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.