CID 23023151

3-(piperazin-1-ylmethyl)phenol dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

C1CN(CCN1)CC2=CC(=CC=C2)O

InChI

InChI=1S/C11H16N2O/c14-11-3-1-2-10(8-11)9-13-6-4-12-5-7-13/h1-3,8,12,14H,4-7,9H2

InChIKey

APDLKHAYHYJBDP-UHFFFAOYSA-N

Compound name

3-(piperazin-1-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 192.12627 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]+	193.13355	144.8
[M+Na]+	215.11549	157.0
[M+NH4]+	210.16009	152.9
[M+K]+	231.08943	150.3
[M-H]-	191.11899	147.3
[M+Na-2H]-	213.10094	151.8
[M]+	192.12572	147.1
[M]-	192.12682	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe