CID 84651874

1391113-48-6

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C1COCC2=C1C=CC(=C2)CO

InChI

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

InChIKey

KDVZVWNZPXLPEP-UHFFFAOYSA-N

Compound name

3,4-dihydro-1H-isochromen-7-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 164.08372 Da
Monoisotopic Mass: 0.7
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]+	165.090996	131.8
[M+Na]+	187.072938	138.7
[M-H]-	163.076444	135.4
[M+NH4]+	182.117543	151.6
[M+K]+	203.046878	137.4
[M+H-H2O]+	147.080980	126.3
[M+HCOO]-	209.081921	151.1
[M+CH3COO]-	223.097571	174.9
[M+Na-2H]-	185.058386	140.6
[M]+	164.08317142	130.0
[M]-	164.08426858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe