CID 84649398

1402565-90-5

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C1C(CO1)C2=CC=C(C=C2)O

InChI

InChI=1S/C9H10O2/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,10H,5-6H2

InChIKey

ITSMPXAZHUUVCB-UHFFFAOYSA-N

Compound name

4-(oxetan-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 150.06808 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	151.075356	122.5
[M+Na]+	173.057298	129.0
[M-H]-	149.060804	128.8
[M+NH4]+	168.101903	135.5
[M+K]+	189.031238	131.5
[M+H-H2O]+	133.065340	112.1
[M+HCOO]-	195.066281	143.7
[M+CH3COO]-	209.081931	175.6
[M+Na-2H]-	171.042746	130.7
[M]+	150.06753142	130.4
[M]-	150.06862858	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe