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 144.2
[M+Na]+ 239.14063 151.8
[M-H]- 215.14413 150.3
[M+NH4]+ 234.18523 167.0
[M+K]+ 255.11457 151.8
[M+H-H2O]+ 199.14867 140.3
[M+HCOO]- 261.14961 163.5
[M+CH3COO]- 275.16526 192.6
[M+Na-2H]- 237.12608 150.3
[M]+ 216.15086 141.5
[M]- 216.15196 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.