CID 15877545

4-amino-n-(3-hydroxypropyl)benzamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1=CC(=CC=C1C(=O)NCCCO)N

InChI

InChI=1S/C10H14N2O2/c11-9-4-2-8(3-5-9)10(14)12-6-1-7-13/h2-5,13H,1,6-7,11H2,(H,12,14)

InChIKey

VSJNWTWOEYAQLY-UHFFFAOYSA-N

Compound name

4-amino-N-(3-hydroxypropyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 194.10553 Da
Monoisotopic Mass: -0.1
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]+	195.112806	142.7
[M+Na]+	217.094748	148.4
[M-H]-	193.098254	144.4
[M+NH4]+	212.139353	160.5
[M+K]+	233.068688	145.8
[M+H-H2O]+	177.102790	136.2
[M+HCOO]-	239.103731	166.4
[M+CH3COO]-	253.119381	185.6
[M+Na-2H]-	215.080196	147.3
[M]+	194.10498142	140.3
[M]-	194.10607858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe