CID 414088

1-(3-bromopropyl)-4-methylpiperazine

Structural Information

Molecular Formula

C₈H₁₇BrN₂

SMILES

CN1CCN(CC1)CCCBr

InChI

InChI=1S/C8H17BrN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3

InChIKey

VGBABRZKSQUDEN-UHFFFAOYSA-N

Compound name

1-(3-bromopropyl)-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 220.05751 Da
Monoisotopic Mass: 1.2
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]+	221.06479	145.4
[M+Na]+	243.04673	147.3
[M+NH4]+	238.09133	150.0
[M+K]+	259.02067	146.6
[M-H]-	219.05023	145.0
[M+Na-2H]-	241.03218	147.1
[M]+	220.05696	144.2
[M]-	220.05806	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe