CID 115013023

4-(azetidin-3-yloxy)phenol

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1C(CN1)OC2=CC=C(C=C2)O
InChI
InChI=1S/C9H11NO2/c11-7-1-3-8(4-2-7)12-9-5-10-6-9/h1-4,9-11H,5-6H2
InChIKey
TYEPNGBADSLTQP-UHFFFAOYSA-N
Compound name
4-(azetidin-3-yloxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 130.7
[M+Na]+ 188.068198 136.5
[M-H]- 164.071704 133.2
[M+NH4]+ 183.112803 142.1
[M+K]+ 204.042138 136.9
[M+H-H2O]+ 148.076240 119.0
[M+HCOO]- 210.077181 149.7
[M+CH3COO]- 224.092831 175.7
[M+Na-2H]- 186.053646 137.0
[M]+ 165.07843142 136.4
[M]- 165.07952858 136.4
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

No patent data available for this compound.