CID 54006004

3-(oxan-4-yl)phenol

Structural Information

Molecular Formula
C11H14O2
SMILES
C1COCCC1C2=CC(=CC=C2)O
InChI
InChI=1S/C11H14O2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,12H,4-7H2
InChIKey
KOXUYPXLVGOMMT-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 138.2
[M+Na]+ 201.08860 151.3
[M+NH4]+ 196.13320 147.6
[M+K]+ 217.06254 144.7
[M-H]- 177.09210 143.8
[M+Na-2H]- 199.07405 145.9
[M]+ 178.09883 141.6
[M]- 178.09993 141.6
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