CID 7005

1-naphthol

Structural Information

Molecular Formula

C₁₀H₈O

SMILES

C1=CC=C2C(=C1)C=CC=C2O

InChI

InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H

InChIKey

KJCVRFUGPWSIIH-UHFFFAOYSA-N

Compound name

naphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1165
References: 67024
Patents: 144.05751 Da
Monoisotopic Mass: 2.8
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]+	145.064786	125.3
[M+Na]+	167.046728	134.4
[M-H]-	143.050234	129.1
[M+NH4]+	162.091333	147.4
[M+K]+	183.020668	131.1
[M+H-H2O]+	127.054770	120.2
[M+HCOO]-	189.055711	148.4
[M+CH3COO]-	203.071361	139.8
[M+Na-2H]-	165.032176	135.4
[M]+	144.05696142	124.4
[M]-	144.05805858	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe