CID 87186

17610-24-1

Structural Information

Molecular Formula
C17H24O
SMILES
CC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C
InChI
InChI=1S/C17H24O/c1-11-9-14-15(10-13(11)12(2)18)17(5,6)8-7-16(14,3)4/h9-10H,7-8H2,1-6H3
InChIKey
QZADYGNSQCABPT-UHFFFAOYSA-N
Compound name
1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

132
Patents

244.18271 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.189986 154.2
[M+Na]+ 267.171928 163.4
[M-H]- 243.175434 159.3
[M+NH4]+ 262.216533 177.8
[M+K]+ 283.145868 160.3
[M+H-H2O]+ 227.179970 149.6
[M+HCOO]- 289.180911 172.5
[M+CH3COO]- 303.196561 199.5
[M+Na-2H]- 265.157376 158.1
[M]+ 244.18216142 155.3
[M]- 244.18325858 155.3
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

patents stripe