CID 81966

2-hydroxy-n-propylbenzamide

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

2
Annotation Hits: 0
References: 90
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]+	180.101916	138.5
[M+Na]+	202.083858	145.2
[M-H]-	178.087364	140.9
[M+NH4]+	197.128463	157.8
[M+K]+	218.057798	143.0
[M+H-H2O]+	162.091900	132.7
[M+HCOO]-	224.092841	162.0
[M+CH3COO]-	238.108491	181.0
[M+Na-2H]-	200.069306	144.0
[M]+	179.09409142	138.0
[M]-	179.09518858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe