CID 14324892

1-(3-methylpiperazin-1-yl)propan-2-ol

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CC1CN(CCN1)CC(C)O

InChI

InChI=1S/C8H18N2O/c1-7-5-10(4-3-9-7)6-8(2)11/h7-9,11H,3-6H2,1-2H3

InChIKey

HMDZCMMVIPVAFY-UHFFFAOYSA-N

Compound name

1-(3-methylpiperazin-1-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	159.14918	137.9
[M+Na]+	181.13112	147.3
[M+NH4]+	176.17572	145.0
[M+K]+	197.10506	142.5
[M-H]-	157.13462	137.3
[M+Na-2H]-	179.11657	140.9
[M]+	158.14135	138.7
[M]-	158.14245	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe