CID 79207

5317-32-8

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

C1CN(CCN1)CCCO

InChI

InChI=1S/C7H16N2O/c10-7-1-4-9-5-2-8-3-6-9/h8,10H,1-7H2

InChIKey

LWEOFVINMVZGAS-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1977
Patents: 144.12627 Da
Monoisotopic Mass: -0.7
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]+	145.133546	134.5
[M+Na]+	167.115488	138.7
[M-H]-	143.118994	131.3
[M+NH4]+	162.160093	151.5
[M+K]+	183.089428	136.5
[M+H-H2O]+	127.123530	127.5
[M+HCOO]-	189.124471	149.9
[M+CH3COO]-	203.140121	168.5
[M+Na-2H]-	165.100936	139.6
[M]+	144.12572142	128.0
[M]-	144.12681858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe