CID 75356173

1-methylpiperazine-2-carbonitrile

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CN1CCNCC1C#N

InChI

InChI=1S/C6H11N3/c1-9-3-2-8-5-6(9)4-7/h6,8H,2-3,5H2,1H3

InChIKey

UVVVPHSDEZUWCT-UHFFFAOYSA-N

Compound name

1-methylpiperazine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 125.0953 Da
Monoisotopic Mass: -0.6
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	129.9
[M+Na]+	148.08452	140.3
[M+NH4]+	143.12912	134.5
[M+K]+	164.05846	131.7
[M-H]-	124.08802	123.3
[M+Na-2H]-	146.06997	132.3
[M]+	125.09475	128.5
[M]-	125.09585	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe