CID 86089

16891-80-8

Structural Information

Molecular Formula
C13H16O2
SMILES
C1COCC(=C1)C(CC2=CC=CC=C2)O
InChI
InChI=1S/C13H16O2/c14-13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11/h1-3,5-7,13-14H,4,8-10H2
InChIKey
RQCMEGSOOZSUIE-UHFFFAOYSA-N
Compound name
1-(3,6-dihydro-2H-pyran-5-yl)-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 145.6
[M+Na]+ 227.104258 150.0
[M-H]- 203.107764 150.8
[M+NH4]+ 222.148863 162.0
[M+K]+ 243.078198 148.4
[M+H-H2O]+ 187.112300 138.7
[M+HCOO]- 249.113241 164.6
[M+CH3COO]- 263.128891 182.0
[M+Na-2H]- 225.089706 151.5
[M]+ 204.11449142 142.5
[M]- 204.11558858 142.5
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

No patent data available for this compound.