CID 84652325

4-(oxetan-3-yloxy)phenol

Structural Information

Molecular Formula
C9H10O3
SMILES
C1C(CO1)OC2=CC=C(C=C2)O
InChI
InChI=1S/C9H10O3/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9-10H,5-6H2
InChIKey
WPOYVTONWSIZCS-UHFFFAOYSA-N
Compound name
4-(oxetan-3-yloxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

166.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.070266 125.1
[M+Na]+ 189.052208 131.3
[M-H]- 165.055714 131.2
[M+NH4]+ 184.096813 137.3
[M+K]+ 205.026148 134.4
[M+H-H2O]+ 149.060250 114.3
[M+HCOO]- 211.061191 146.4
[M+CH3COO]- 225.076841 177.6
[M+Na-2H]- 187.037656 133.3
[M]+ 166.06244142 134.3
[M]- 166.06353858 134.3
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