CID 12654592

1-(4-methylpiperazin-1-yl)propan-2-ol

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CC(CN1CCN(CC1)C)O

InChI

InChI=1S/C8H18N2O/c1-8(11)7-10-5-3-9(2)4-6-10/h8,11H,3-7H2,1-2H3

InChIKey

PCAFNJDUSMKKHJ-UHFFFAOYSA-N

Compound name

1-(4-methylpiperazin-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 257
Patents: 158.1419 Da
Monoisotopic Mass: -0.2
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]+	159.149176	138.3
[M+Na]+	181.131118	143.3
[M-H]-	157.134624	137.0
[M+NH4]+	176.175723	155.8
[M+K]+	197.105058	142.3
[M+H-H2O]+	141.139160	131.4
[M+HCOO]-	203.140101	153.9
[M+CH3COO]-	217.155751	176.1
[M+Na-2H]-	179.116566	141.5
[M]+	158.14135142	133.9
[M]-	158.14244858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe