CID 57432319

5-methylchroman-4-ol

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC1=C2C(CCOC2=CC=C1)O

InChI

InChI=1S/C10H12O2/c1-7-3-2-4-9-10(7)8(11)5-6-12-9/h2-4,8,11H,5-6H2,1H3

InChIKey

KYCJPMMFWPHVRX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 164.08372 Da
Monoisotopic Mass: 1.5
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	132.0
[M+Na]+	187.07294	145.7
[M+NH4]+	182.11754	141.8
[M+K]+	203.04688	139.3
[M-H]-	163.07644	136.2
[M+Na-2H]-	185.05839	138.0
[M]+	164.08317	135.2
[M]-	164.08427	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe