CID 11788288

(piperazin-2-yl)methanol dihydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

C1CNC(CN1)CO

InChI

InChI=1S/C5H12N2O/c8-4-5-3-6-1-2-7-5/h5-8H,1-4H2

InChIKey

SIRSTRHGFGFVME-UHFFFAOYSA-N

Compound name

piperazin-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 715
Patents: 116.09496 Da
Monoisotopic Mass: -1.5
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]+	117.10224	126.5
[M+Na]+	139.08418	131.2
[M-H]-	115.08768	122.3
[M+NH4]+	134.12878	143.9
[M+K]+	155.05812	128.5
[M+H-H2O]+	99.092220	120.2
[M+HCOO]-	161.09316	141.0
[M+CH3COO]-	175.10881	159.9
[M+Na-2H]-	137.06963	132.1
[M]+	116.09441	117.4
[M]-	116.09551	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe