CID 22737358

4-(oxan-4-yl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

178.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 137.4
[M+Na]+ 201.088598 142.8
[M-H]- 177.092104 142.9
[M+NH4]+ 196.133203 155.1
[M+K]+ 217.062538 141.4
[M+H-H2O]+ 161.096640 131.0
[M+HCOO]- 223.097581 156.5
[M+CH3COO]- 237.113231 176.5
[M+Na-2H]- 199.074046 143.9
[M]+ 178.09883142 133.1
[M]- 178.09992858 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

No literature data available for this compound.

Patent stripe

patents stripe