CID 84649397

1391209-22-5

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C1COCC2=C1C=CC(=C2)O

InChI

InChI=1S/C9H10O2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,10H,3-4,6H2

InChIKey

GYGRPMTVIVLWOI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 150.06808 Da
Monoisotopic Mass: 1.3
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]+	151.075356	127.0
[M+Na]+	173.057298	134.4
[M-H]-	149.060804	130.8
[M+NH4]+	168.101903	147.4
[M+K]+	189.031238	133.3
[M+H-H2O]+	133.065340	121.7
[M+HCOO]-	195.066281	146.7
[M+CH3COO]-	209.081931	171.9
[M+Na-2H]-	171.042746	136.4
[M]+	150.06753142	124.9
[M]-	150.06862858	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe