CID 2749

Ciclopirox

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1=CC(=O)N(C(=C1)C2CCCCC2)O

InChI

InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3

InChIKey

SCKYRAXSEDYPSA-UHFFFAOYSA-N

Compound name

6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 639
References: 26258
Patents: 207.12593 Da
Monoisotopic Mass: 2.0
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]+	208.13321	145.6
[M+Na]+	230.11515	152.6
[M-H]-	206.11865	149.5
[M+NH4]+	225.15975	162.6
[M+K]+	246.08909	149.2
[M+H-H2O]+	190.12319	138.3
[M+HCOO]-	252.12413	164.1
[M+CH3COO]-	266.13978	183.8
[M+Na-2H]-	228.10060	149.1
[M]+	207.12538	141.7
[M]-	207.12648	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe