CID 95601

Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-2-naphthalenyl)-

Structural Information

Molecular Formula
C14H22O
SMILES
CC(=O)C1CCC2=C(C1)C(CCC2)(C)C
InChI
InChI=1S/C14H22O/c1-10(15)12-7-6-11-5-4-8-14(2,3)13(11)9-12/h12H,4-9H2,1-3H3
InChIKey
OUKQZIZZUWSLMY-UHFFFAOYSA-N
Compound name
1-(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 148.5
[M+Na]+ 229.15629 153.9
[M-H]- 205.15979 152.1
[M+NH4]+ 224.20089 170.6
[M+K]+ 245.13023 151.5
[M+H-H2O]+ 189.16433 143.2
[M+HCOO]- 251.16527 164.8
[M+CH3COO]- 265.18092 189.1
[M+Na-2H]- 227.14174 151.7
[M]+ 206.16652 144.3
[M]- 206.16762 144.3
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

No patent data available for this compound.