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]+ 243.174346 158.3
[M+Na]+ 265.156288 165.7
[M-H]- 241.159794 163.3
[M+NH4]+ 260.200893 182.0
[M+K]+ 281.130228 161.3
[M+H-H2O]+ 225.164330 152.9
[M+HCOO]- 287.165271 175.6
[M+CH3COO]- 301.180921 196.4
[M+Na-2H]- 263.141736 160.4
[M]+ 242.16652142 156.3
[M]- 242.16761858 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