CID 214809

Brn 2116323

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃

SMILES

CC(C)NCC(COC1=CC=C(C=C1)C(=O)N)O

InChI

InChI=1S/C13H20N2O3/c1-9(2)15-7-11(16)8-18-12-5-3-10(4-6-12)13(14)17/h3-6,9,11,15-16H,7-8H2,1-2H3,(H2,14,17)

InChIKey

GKCXZIYBNFXMHE-UHFFFAOYSA-N

Compound name

4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.1474 Da
Monoisotopic Mass: 0.6
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]+	253.154676	160.1
[M+Na]+	275.136618	163.8
[M-H]-	251.140124	161.3
[M+NH4]+	270.181223	175.3
[M+K]+	291.110558	162.3
[M+H-H2O]+	235.144660	152.9
[M+HCOO]-	297.145601	181.0
[M+CH3COO]-	311.161251	199.4
[M+Na-2H]-	273.122066	160.6
[M]+	252.14685142	159.0
[M]-	252.14794858	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.