CID 139596168

Ns00008704

Structural Information

Molecular Formula
C17H28O
SMILES
CC(=O)C1(CC2=C(CC1(C)C)C(CCC2)(C)C)C
InChI
InChI=1S/C17H28O/c1-12(18)17(6)10-13-8-7-9-15(2,3)14(13)11-16(17,4)5/h7-11H2,1-6H3
InChIKey
MYGLBEGWORFJMV-UHFFFAOYSA-N
Compound name
1-(2,3,3,5,5-pentamethyl-4,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.21402 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.221296 156.7
[M+Na]+ 271.203238 163.9
[M-H]- 247.206744 161.0
[M+NH4]+ 266.247843 181.5
[M+K]+ 287.177178 161.4
[M+H-H2O]+ 231.211280 152.6
[M+HCOO]- 293.212221 172.0
[M+CH3COO]- 307.227871 198.9
[M+Na-2H]- 269.188686 160.3
[M]+ 248.21347142 154.9
[M]- 248.21456858 154.9
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.