CID 81349

1-amino-4-methylpiperazine

Structural Information

Molecular Formula

C₅H₁₃N₃

SMILES

CN1CCN(CC1)N

InChI

InChI=1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3

InChIKey

RJWLLQWLBMJCFD-UHFFFAOYSA-N

Compound name

4-methylpiperazin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 3496
Patents: 115.11095 Da
Monoisotopic Mass: -1.1
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]+	116.11823	124.1
[M+Na]+	138.10017	134.4
[M+NH4]+	133.14477	132.4
[M+K]+	154.07411	129.1
[M-H]-	114.10367	125.4
[M+Na-2H]-	136.08562	129.2
[M]+	115.11040	125.6
[M]-	115.11150	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe