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]+ 213.12740 147.4
[M+Na]+ 235.10934 154.0
[M-H]- 211.11284 154.5
[M+NH4]+ 230.15394 168.7
[M+K]+ 251.08328 149.7
[M+H-H2O]+ 195.11738 140.9
[M+HCOO]- 257.11832 168.2
[M+CH3COO]- 271.13397 160.1
[M+Na-2H]- 233.09479 150.8
[M]+ 212.11957 143.5
[M]- 212.12067 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.