CID 165364022

Dtxsid901031281

Structural Information

Molecular Formula
C17H16O
SMILES
CC(=O)[C@H]1CCC2=C1C=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H16O/c1-12(18)16-9-8-15-11-14(7-10-17(15)16)13-5-3-2-4-6-13/h2-7,10-11,16H,8-9H2,1H3/t16-/m1/s1
InChIKey
LPYMAZFTMUFHMT-MRXNPFEDSA-N
Compound name
1-[(1S)-5-phenyl-2,3-dihydro-1H-inden-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.127396 154.2
[M+Na]+ 259.109338 161.7
[M-H]- 235.112844 161.9
[M+NH4]+ 254.153943 174.7
[M+K]+ 275.083278 157.1
[M+H-H2O]+ 219.117380 147.5
[M+HCOO]- 281.118321 176.2
[M+CH3COO]- 295.133971 167.1
[M+Na-2H]- 257.094786 157.4
[M]+ 236.11957142 153.3
[M]- 236.12066858 153.3
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.