CID 22087733

3-cyclopropoxyphenol

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C1CC1OC2=CC=CC(=C2)O

InChI

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

InChIKey

WTUSVFKSMGWHFO-UHFFFAOYSA-N

Compound name

3-cyclopropyloxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 150.06808 Da
Monoisotopic Mass: 2.1
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	127.2
[M+Na]+	173.057298	137.0
[M-H]-	149.060804	133.9
[M+NH4]+	168.101903	143.1
[M+K]+	189.031238	134.4
[M+H-H2O]+	133.065340	121.2
[M+HCOO]-	195.066281	151.3
[M+CH3COO]-	209.081931	176.0
[M+Na-2H]-	171.042746	134.9
[M]+	150.06753142	129.7
[M]-	150.06862858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe