CID 81966

N-propylsalicylamide

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCCNC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C10H13NO2/c1-2-7-11-10(13)8-5-3-4-6-9(8)12/h3-6,12H,2,7H2,1H3,(H,11,13)

InChIKey

IJIQGUFVADZGKO-UHFFFAOYSA-N

Compound name

2-hydroxy-N-propylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 179.09464 Da
Monoisotopic Mass: 2.2
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]+	180.10192	139.1
[M+Na]+	202.08386	150.2
[M+NH4]+	197.12846	146.8
[M+K]+	218.05780	144.5
[M-H]-	178.08736	140.8
[M+Na-2H]-	200.06931	145.1
[M]+	179.09409	140.9
[M]-	179.09519	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe