CID 146456

18739-33-8

Structural Information

Molecular Formula

C₁₁H₂₄N₄

SMILES

CN1CCN(CC1)CN2CCN(CC2)C

InChI

InChI=1S/C11H24N4/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-11H2,1-2H3

InChIKey

ZMBGDHSFLFMTPQ-UHFFFAOYSA-N

Compound name

1-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 212.2001 Da
Monoisotopic Mass: 0.0
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]+	213.20738	156.9
[M+Na]+	235.18932	160.5
[M-H]-	211.19282	156.1
[M+NH4]+	230.23392	169.7
[M+K]+	251.16326	157.9
[M+H-H2O]+	195.19736	146.3
[M+HCOO]-	257.19830	168.0
[M+CH3COO]-	271.21395	188.6
[M+Na-2H]-	233.17477	158.5
[M]+	212.19955	149.0
[M]-	212.20065	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe