CID 20223

Brn 3261830

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

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

InChI

InChI=1S/C11H17NO2/c1-2-7-12-8-11(14)9-3-5-10(13)6-4-9/h3-6,11-14H,2,7-8H2,1H3

InChIKey

DYVQHCMAOFGKPU-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(propylamino)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 195.12593 Da
Monoisotopic Mass: 0.3
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]+	196.133206	144.7
[M+Na]+	218.115148	150.1
[M-H]-	194.118654	145.4
[M+NH4]+	213.159753	162.5
[M+K]+	234.089088	147.3
[M+H-H2O]+	178.123190	138.7
[M+HCOO]-	240.124131	166.0
[M+CH3COO]-	254.139781	183.1
[M+Na-2H]-	216.100596	149.1
[M]+	195.12538142	143.4
[M]-	195.12647858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe