CID 3269221

1-formyl-4-methylpiperazine

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CN1CCN(CC1)C=O

InChI

InChI=1S/C6H12N2O/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3

InChIKey

JQTMGOLZSBTZMS-UHFFFAOYSA-N

Compound name

4-methylpiperazine-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2834
Patents: 128.09496 Da
Monoisotopic Mass: -0.5
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]+	129.10224	127.5
[M+Na]+	151.08418	138.8
[M+NH4]+	146.12878	135.5
[M+K]+	167.05812	133.0
[M-H]-	127.08768	128.0
[M+Na-2H]-	149.06963	132.5
[M]+	128.09441	129.0
[M]-	128.09551	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe