CID 10419183

4-methylpiperazine-1-carbonitrile

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CN1CCN(CC1)C#N

InChI

InChI=1S/C6H11N3/c1-8-2-4-9(6-7)5-3-8/h2-5H2,1H3

InChIKey

VMGJEMZVRQAYRA-UHFFFAOYSA-N

Compound name

4-methylpiperazine-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 125.0953 Da
Monoisotopic Mass: 0.3
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]+	126.10258	121.3
[M+Na]+	148.08452	129.6
[M-H]-	124.08802	121.3
[M+NH4]+	143.12912	138.7
[M+K]+	164.05846	128.3
[M+H-H2O]+	108.09256	107.9
[M+HCOO]-	170.09350	136.7
[M+CH3COO]-	184.10915	184.4
[M+Na-2H]-	146.06997	127.6
[M]+	125.09475	112.6
[M]-	125.09585	112.6

Literature stripe

literature stripe

Patent stripe

patents stripe