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

8
Patents

188.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 141.0
[M+Na]+ 211.10934 148.6
[M-H]- 187.11284 150.7
[M+NH4]+ 206.15394 156.5
[M+K]+ 227.08328 148.1
[M+H-H2O]+ 171.11738 134.1
[M+HCOO]- 233.11832 161.0
[M+CH3COO]- 247.13397 153.8
[M+Na-2H]- 209.09479 149.4
[M]+ 188.11957 139.8
[M]- 188.12067 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