CID 13437678

2h-chromen-6-ol

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C1C=CC2=C(O1)C=CC(=C2)O

InChI

InChI=1S/C9H8O2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-4,6,10H,5H2

InChIKey

NAHHIXKSGGSPOL-UHFFFAOYSA-N

Compound name

2H-chromen-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 411
Patents: 148.05243 Da
Monoisotopic Mass: 1.9
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]+	149.059706	125.3
[M+Na]+	171.041648	133.9
[M-H]-	147.045154	129.6
[M+NH4]+	166.086253	145.9
[M+K]+	187.015588	132.6
[M+H-H2O]+	131.049690	120.1
[M+HCOO]-	193.050631	146.6
[M+CH3COO]-	207.066281	139.7
[M+Na-2H]-	169.027096	135.8
[M]+	148.05188142	124.7
[M]-	148.05297858	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe