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
2
Annotation Hits

0
References

109
Patents

244.18271 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18999 154.2
[M+Na]+ 267.17193 163.4
[M-H]- 243.17543 159.3
[M+NH4]+ 262.21653 177.8
[M+K]+ 283.14587 160.3
[M+H-H2O]+ 227.17997 149.6
[M+HCOO]- 289.18091 172.5
[M+CH3COO]- 303.19656 199.5
[M+Na-2H]- 265.15738 158.1
[M]+ 244.18216 155.3
[M]- 244.18326 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