CID 23845

7376-69-4

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CCCNCC(C1=CC(=C(C=C1)O)O)O

InChI

InChI=1S/C11H17NO3/c1-2-5-12-7-11(15)8-3-4-9(13)10(14)6-8/h3-4,6,11-15H,2,5,7H2,1H3

InChIKey

FJPVLTFQDJDLPR-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(propylamino)ethyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 211.12085 Da
Monoisotopic Mass: -0.5
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]+	212.128126	147.8
[M+Na]+	234.110068	153.5
[M-H]-	210.113574	147.4
[M+NH4]+	229.154673	164.4
[M+K]+	250.084008	150.6
[M+H-H2O]+	194.118110	142.0
[M+HCOO]-	256.119051	167.7
[M+CH3COO]-	270.134701	184.1
[M+Na-2H]-	232.095516	150.9
[M]+	211.12030142	146.4
[M]-	211.12139858	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe