CID 114620347

2-(cyclohex-2-en-1-yl)-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C15H16O
SMILES
C1CC=CC(C1)C2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H16O/c16-15-13-9-5-4-8-12(13)10-14(15)11-6-2-1-3-7-11/h2,4-6,8-9,11,14H,1,3,7,10H2
InChIKey
IDVLLDLQJIJNJE-UHFFFAOYSA-N
Compound name
2-cyclohex-2-en-1-yl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.12012 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.127396 147.4
[M+Na]+ 235.109338 154.0
[M-H]- 211.112844 154.5
[M+NH4]+ 230.153943 168.7
[M+K]+ 251.083278 149.7
[M+H-H2O]+ 195.117380 140.9
[M+HCOO]- 257.118321 168.2
[M+CH3COO]- 271.133971 160.1
[M+Na-2H]- 233.094786 150.8
[M]+ 212.11957142 143.5
[M]- 212.12066858 143.5
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.