CID 952318

1-(cyclobutylmethyl)piperazine

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

C1CC(C1)CN2CCNCC2

InChI

InChI=1S/C9H18N2/c1-2-9(3-1)8-11-6-4-10-5-7-11/h9-10H,1-8H2

InChIKey

LYIJMNZARQYLPL-UHFFFAOYSA-N

Compound name

1-(cyclobutylmethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 154.147 Da
Monoisotopic Mass: 0.9
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]+	155.154276	133.5
[M+Na]+	177.136218	136.1
[M-H]-	153.139724	134.4
[M+NH4]+	172.180823	144.3
[M+K]+	193.110158	136.9
[M+H-H2O]+	137.144260	120.7
[M+HCOO]-	199.145201	148.1
[M+CH3COO]-	213.160851	177.0
[M+Na-2H]-	175.121666	138.0
[M]+	154.14645142	134.2
[M]-	154.14754858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe