CID 11052404

6-phenyl-1-oxaspiro[2.5]octane

Structural Information

Molecular Formula
C13H16O
SMILES
C1CC2(CCC1C3=CC=CC=C3)CO2
InChI
InChI=1S/C13H16O/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)10-14-13/h1-5,12H,6-10H2
InChIKey
RDIINJBTORBOFF-UHFFFAOYSA-N
Compound name
6-phenyl-1-oxaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

188.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 141.0
[M+Na]+ 211.109338 148.6
[M-H]- 187.112844 150.7
[M+NH4]+ 206.153943 156.5
[M+K]+ 227.083278 148.1
[M+H-H2O]+ 171.117380 134.1
[M+HCOO]- 233.118321 161.0
[M+CH3COO]- 247.133971 153.8
[M+Na-2H]- 209.094786 149.4
[M]+ 188.11957142 139.8
[M]- 188.12066858 139.8
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