CID 123077

1-anthrol

Structural Information

Molecular Formula

C₁₄H₁₀O

SMILES

C1=CC=C2C=C3C(=CC2=C1)C=CC=C3O

InChI

InChI=1S/C14H10O/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,15H

InChIKey

MUVQKFGNPGZBII-UHFFFAOYSA-N

Compound name

anthracen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 9512
Patents: 194.07317 Da
Monoisotopic Mass: 4.1
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]+	195.080446	137.5
[M+Na]+	217.062388	148.1
[M-H]-	193.065894	142.5
[M+NH4]+	212.106993	158.7
[M+K]+	233.036328	142.9
[M+H-H2O]+	177.070430	131.4
[M+HCOO]-	239.071371	160.3
[M+CH3COO]-	253.087021	151.7
[M+Na-2H]-	215.047836	148.7
[M]+	194.07262142	138.5
[M]-	194.07371858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe