CID 81821

7359-04-8

Structural Information

Molecular Formula
C17H22O
SMILES
CC(=O)C1=C2CCCCC2=CC3=C1CCC3(C)C
InChI
InChI=1S/C17H22O/c1-11(18)16-13-7-5-4-6-12(13)10-15-14(16)8-9-17(15,2)3/h10H,4-9H2,1-3H3
InChIKey
HIQNCQIKWYJQJH-UHFFFAOYSA-N
Compound name
1-(1,1-dimethyl-2,3,5,6,7,8-hexahydrocyclopenta[b]naphthalen-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

242.16707 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17435 158.1
[M+Na]+ 265.15629 170.1
[M+NH4]+ 260.20089 169.8
[M+K]+ 281.13023 162.1
[M-H]- 241.15979 161.4
[M+Na-2H]- 263.14174 163.1
[M]+ 242.16652 161.0
[M]- 242.16762 161.0
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

patents stripe