CID 79208

5317-33-9

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CN1CCN(CC1)CCCO

InChI

InChI=1S/C8H18N2O/c1-9-4-6-10(7-5-9)3-2-8-11/h11H,2-8H2,1H3

InChIKey

JKRSQNBRNIYETC-UHFFFAOYSA-N

Compound name

3-(4-methylpiperazin-1-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1354
Patents: 158.1419 Da
Monoisotopic Mass: -0.3
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]+	159.14918	137.4
[M+Na]+	181.13112	147.7
[M+NH4]+	176.17572	145.0
[M+K]+	197.10506	141.8
[M-H]-	157.13462	137.6
[M+Na-2H]-	179.11657	141.4
[M]+	158.14135	138.6
[M]-	158.14245	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe