CID 92890

4-chromanol

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C1COC2=CC=CC=C2C1O

InChI

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

InChIKey

MGSHXMOLUWTMGP-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-chromen-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 1003
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	127.0
[M+Na]+	173.057298	134.4
[M-H]-	149.060804	130.8
[M+NH4]+	168.101903	147.4
[M+K]+	189.031238	133.3
[M+H-H2O]+	133.065340	121.7
[M+HCOO]-	195.066281	146.7
[M+CH3COO]-	209.081931	171.9
[M+Na-2H]-	171.042746	136.4
[M]+	150.06753142	124.9
[M]-	150.06862858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe