CID 515172

1-(9h-xanthen-2-yl)ethanol

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

CC(C1=CC2=C(C=C1)OC3=CC=CC=C3C2)O

InChI

InChI=1S/C15H14O2/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)17-15/h2-8,10,16H,9H2,1H3

InChIKey

LIOOJRJFENPAPW-UHFFFAOYSA-N

Compound name

1-(9H-xanthen-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 226.09938 Da
Monoisotopic Mass: 3.0
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]+	227.106656	148.0
[M+Na]+	249.088598	155.8
[M-H]-	225.092104	152.7
[M+NH4]+	244.133203	166.3
[M+K]+	265.062538	152.9
[M+H-H2O]+	209.096640	141.5
[M+HCOO]-	271.097581	165.8
[M+CH3COO]-	285.113231	160.4
[M+Na-2H]-	247.074046	156.1
[M]+	226.09883142	147.8
[M]-	226.09992858	147.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.