CID 2794816

2-(hydroxymethyl)chroman

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C1CC2=CC=CC=C2OC1CO

InChI

InChI=1S/C10H12O2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9,11H,5-7H2

InChIKey

KDLVSGWUKFJFTL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 399
Patents: 164.08372 Da
Monoisotopic Mass: 1.7
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]+	165.09100	131.8
[M+Na]+	187.07294	138.7
[M-H]-	163.07644	135.4
[M+NH4]+	182.11754	151.6
[M+K]+	203.04688	137.4
[M+H-H2O]+	147.08098	126.3
[M+HCOO]-	209.08192	151.1
[M+CH3COO]-	223.09757	174.9
[M+Na-2H]-	185.05839	140.6
[M]+	164.08317	130.0
[M]-	164.08427	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe