CID 13616455

33313-82-5

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C1COC2=CC=CC=C2C1CO

InChI

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

InChIKey

JCIBYIVDOVFNJS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 164.08372 Da
Monoisotopic Mass: 1.4
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