CID 101645

2-butoxy-4-phenyl-3,4-dihydro-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
2
Annotation Hits

0
References

16
Patents

232.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 154.0
[M+Na]+ 255.135548 159.1
[M-H]- 231.139054 160.4
[M+NH4]+ 250.180153 170.3
[M+K]+ 271.109488 157.5
[M+H-H2O]+ 215.143590 146.4
[M+HCOO]- 277.144531 174.7
[M+CH3COO]- 291.160181 190.8
[M+Na-2H]- 253.120996 159.7
[M]+ 232.14578142 154.4
[M]- 232.14687858 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