CID 77821

4164-39-0

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1CN(CCN1C=O)C=O

InChI

InChI=1S/C6H10N2O2/c9-5-7-1-2-8(6-10)4-3-7/h5-6H,1-4H2

InChIKey

CBLGQEBXWDKYDI-UHFFFAOYSA-N

Compound name

piperazine-1,4-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 749
Patents: 142.07423 Da
Monoisotopic Mass: -1.0
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]+	143.081506	128.4
[M+Na]+	165.063448	135.4
[M-H]-	141.066954	128.7
[M+NH4]+	160.108053	147.0
[M+K]+	181.037388	134.6
[M+H-H2O]+	125.071490	121.4
[M+HCOO]-	187.072431	147.7
[M+CH3COO]-	201.088081	172.2
[M+Na-2H]-	163.048896	134.5
[M]+	142.07368142	125.8
[M]-	142.07477858	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe