CID 81821

4-acetyl-2,3,5,6,7,8-hexahydro-1,1-dimethyl-1h-benz(f)indene

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 158.3
[M+Na]+ 265.15629 165.7
[M-H]- 241.15979 163.3
[M+NH4]+ 260.20089 182.0
[M+K]+ 281.13023 161.3
[M+H-H2O]+ 225.16433 152.9
[M+HCOO]- 287.16527 175.6
[M+CH3COO]- 301.18092 196.4
[M+Na-2H]- 263.14174 160.4
[M]+ 242.16652 156.3
[M]- 242.16762 156.3
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