CID 111002

7483-59-2

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

C1CN(CCN1)CC(CO)O

InChI

InChI=1S/C7H16N2O2/c10-6-7(11)5-9-3-1-8-2-4-9/h7-8,10-11H,1-6H2

InChIKey

UXQHRRWIFFJGMQ-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylpropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 237
Patents: 160.12119 Da
Monoisotopic Mass: -1.7
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]+	161.128466	138.3
[M+Na]+	183.110408	141.8
[M-H]-	159.113914	133.8
[M+NH4]+	178.155013	153.8
[M+K]+	199.084348	139.6
[M+H-H2O]+	143.118450	131.5
[M+HCOO]-	205.119391	151.3
[M+CH3COO]-	219.135041	169.0
[M+Na-2H]-	181.095856	141.7
[M]+	160.12064142	130.7
[M]-	160.12173858	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe