CID 101645

2-butoxy-3,4-dihydro-4-phenyl-2h-pyran

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

15
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 154.0
[M+Na]+ 255.13555 159.1
[M-H]- 231.13905 160.4
[M+NH4]+ 250.18015 170.3
[M+K]+ 271.10949 157.5
[M+H-H2O]+ 215.14359 146.4
[M+HCOO]- 277.14453 174.7
[M+CH3COO]- 291.16018 190.8
[M+Na-2H]- 253.12100 159.7
[M]+ 232.14578 154.4
[M]- 232.14688 154.4
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