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 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

No literature data available for this compound.

Patent stripe

patents stripe