CID 78013

1-isopropylpiperazine

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CC(C)N1CCNCC1

InChI

InChI=1S/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3

InChIKey

WHKWMTXTYKVFLK-UHFFFAOYSA-N

Compound name

1-propan-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 9581
Patents: 128.13135 Da
Monoisotopic Mass: 0.4
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]+	129.138626	131.0
[M+Na]+	151.120568	135.5
[M-H]-	127.124074	129.5
[M+NH4]+	146.165173	149.5
[M+K]+	167.094508	134.3
[M+H-H2O]+	111.128610	124.2
[M+HCOO]-	173.129551	146.7
[M+CH3COO]-	187.145201	170.0
[M+Na-2H]-	149.106016	135.5
[M]+	128.13080142	124.4
[M]-	128.13189858	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe