CID 558976

84468-53-1

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CC(C)C1CNCCN1

InChI

InChI=1S/C7H16N2/c1-6(2)7-5-8-3-4-9-7/h6-9H,3-5H2,1-2H3

InChIKey

HBCSNWKQNPKIHK-UHFFFAOYSA-N

Compound name

2-propan-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 623
Patents: 128.13135 Da
Monoisotopic Mass: 0.5
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	131.9
[M+Na]+	151.120568	136.0
[M-H]-	127.124074	129.0
[M+NH4]+	146.165173	149.6
[M+K]+	167.094508	133.8
[M+H-H2O]+	111.128610	125.4
[M+HCOO]-	173.129551	146.1
[M+CH3COO]-	187.145201	167.3
[M+Na-2H]-	149.106016	135.9
[M]+	128.13080142	123.4
[M]-	128.13189858	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe