CID 101645

324-00-5

Structural Information

Molecular Formula
C15H20O2
SMILES
CCCCOC1CC(C=CO1)C2=CC=CC=C2
InChI
InChI=1S/C15H20O2/c1-2-3-10-16-15-12-14(9-11-17-15)13-7-5-4-6-8-13/h4-9,11,14-15H,2-3,10,12H2,1H3
InChIKey
BAMXSUOLVYQHGY-UHFFFAOYSA-N
Compound name
2-butoxy-4-phenyl-3,4-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

232.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 154.3
[M+Na]+ 255.13555 168.1
[M+NH4]+ 250.18015 163.5
[M+K]+ 271.10949 160.0
[M-H]- 231.13905 160.4
[M+Na-2H]- 253.12100 162.4
[M]+ 232.14578 158.1
[M]- 232.14688 158.1
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