CID 205054

1,4-piperazinedicarboxamidine

Structural Information

Molecular Formula

C₆H₁₄N₆

SMILES

C1CN(CCN1C(=N)N)C(=N)N

InChI

InChI=1S/C6H14N6/c7-5(8)11-1-2-12(4-3-11)6(9)10/h1-4H2,(H3,7,8)(H3,9,10)

InChIKey

BHCYHIHXZYQUHZ-UHFFFAOYSA-N

Compound name

piperazine-1,4-dicarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 170.12799 Da
Monoisotopic Mass: -2.0
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]+	171.13527	138.7
[M+Na]+	193.11721	142.3
[M-H]-	169.12071	138.4
[M+NH4]+	188.16181	154.4
[M+K]+	209.09115	140.7
[M+H-H2O]+	153.12525	130.8
[M+HCOO]-	215.12619	158.6
[M+CH3COO]-	229.14184	187.8
[M+Na-2H]-	191.10266	141.8
[M]+	170.12744	127.0
[M]-	170.12854	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe