CID 82191

1-formylpiperazine

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CN(CCN1)C=O

InChI

InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2

InChIKey

MSSDTZLYNMFTKN-UHFFFAOYSA-N

Compound name

piperazine-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 7315
Patents: 114.079315 Da
Monoisotopic Mass: -0.9
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]+	115.08659	123.9
[M+Na]+	137.06853	134.4
[M+NH4]+	132.11314	131.7
[M+K]+	153.04247	129.0
[M-H]-	113.07204	123.8
[M+Na-2H]-	135.05398	128.8
[M]+	114.07877	125.0
[M]-	114.07986	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe