CID 93618

N-butylsalicylamide

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCCCNC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C11H15NO2/c1-2-3-8-12-11(14)9-6-4-5-7-10(9)13/h4-7,13H,2-3,8H2,1H3,(H,12,14)

InChIKey

JQBUMIBAURQBNA-UHFFFAOYSA-N

Compound name

N-butyl-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 193.11028 Da
Monoisotopic Mass: 2.6
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]+	194.117556	143.2
[M+Na]+	216.099498	149.4
[M-H]-	192.103004	145.4
[M+NH4]+	211.144103	161.8
[M+K]+	232.073438	147.0
[M+H-H2O]+	176.107540	137.1
[M+HCOO]-	238.108481	166.3
[M+CH3COO]-	252.124131	184.1
[M+Na-2H]-	214.084946	148.1
[M]+	193.10973142	143.0
[M]-	193.11082858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe