CID 89676

22360-68-5

Structural Information

Molecular Formula
C17H24O
SMILES
CC(C)C1=C(C=C2CCCC(C2=C1)(C)C)C(=O)C
InChI
InChI=1S/C17H24O/c1-11(2)14-10-16-13(9-15(14)12(3)18)7-6-8-17(16,4)5/h9-11H,6-8H2,1-5H3
InChIKey
UFAIIBGWQMSXDZ-UHFFFAOYSA-N
Compound name
1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.18271 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.189986 157.5
[M+Na]+ 267.171928 164.3
[M-H]- 243.175434 161.8
[M+NH4]+ 262.216533 178.5
[M+K]+ 283.145868 161.4
[M+H-H2O]+ 227.179970 152.0
[M+HCOO]- 289.180911 174.7
[M+CH3COO]- 303.196561 199.5
[M+Na-2H]- 265.157376 159.3
[M]+ 244.18216142 157.0
[M]- 244.18325858 157.0
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.