CID 76822

1,4-piperazinedimethanol

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

C1CN(CCN1CO)CO

InChI

InChI=1S/C6H14N2O2/c9-5-7-1-2-8(6-10)4-3-7/h9-10H,1-6H2

InChIKey

NQEQVKVMCQIFFB-UHFFFAOYSA-N

Compound name

[4-(hydroxymethyl)piperazin-1-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 146.10553 Da
Monoisotopic Mass: -1.1
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]+	147.112806	132.9
[M+Na]+	169.094748	138.5
[M-H]-	145.098254	130.3
[M+NH4]+	164.139353	150.1
[M+K]+	185.068688	137.0
[M+H-H2O]+	129.102790	126.2
[M+HCOO]-	191.103731	148.8
[M+CH3COO]-	205.119381	168.7
[M+Na-2H]-	167.080196	137.8
[M]+	146.10498142	127.9
[M]-	146.10607858	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe