CID 10329884

2-phenyloxan-4-ol

Structural Information

Molecular Formula
C11H14O2
SMILES
C1COC(CC1O)C2=CC=CC=C2
InChI
InChI=1S/C11H14O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey
VPXLNWRTGPPGRS-UHFFFAOYSA-N
Compound name
2-phenyloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

178.09938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 137.4
[M+Na]+ 201.08860 142.8
[M-H]- 177.09210 142.9
[M+NH4]+ 196.13320 155.1
[M+K]+ 217.06254 141.4
[M+H-H2O]+ 161.09664 131.0
[M+HCOO]- 223.09758 156.5
[M+CH3COO]- 237.11323 176.5
[M+Na-2H]- 199.07405 143.9
[M]+ 178.09883 133.1
[M]- 178.09993 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe