CID 19867648

118779-37-6

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

CN1CCN(CC1)C(=O)CCO

InChI

InChI=1S/C8H16N2O2/c1-9-3-5-10(6-4-9)8(12)2-7-11/h11H,2-7H2,1H3

InChIKey

JQPXJSJHGAGJHF-UHFFFAOYSA-N

Compound name

3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 172.12119 Da
Monoisotopic Mass: -1.2
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]+	173.128466	140.1
[M+Na]+	195.110408	145.4
[M-H]-	171.113914	138.8
[M+NH4]+	190.155013	156.9
[M+K]+	211.084348	144.2
[M+H-H2O]+	155.118450	133.1
[M+HCOO]-	217.119391	156.1
[M+CH3COO]-	231.135041	176.6
[M+Na-2H]-	193.095856	143.3
[M]+	172.12064142	136.3
[M]-	172.12173858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe