CID 2466

Bufexamac

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CCCCOC1=CC=C(C=C1)CC(=O)NO

InChI

InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)

InChIKey

MXJWRABVEGLYDG-UHFFFAOYSA-N

Compound name

2-(4-butoxyphenyl)-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 131
References: 9713
Patents: 223.12085 Da
Monoisotopic Mass: 1.9
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]+	224.12813	150.6
[M+Na]+	246.11007	156.3
[M-H]-	222.11357	152.6
[M+NH4]+	241.15467	168.0
[M+K]+	262.08401	154.2
[M+H-H2O]+	206.11811	144.0
[M+HCOO]-	268.11905	173.6
[M+CH3COO]-	282.13470	189.2
[M+Na-2H]-	244.09552	155.1
[M]+	223.12030	152.2
[M]-	223.12140	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe