CID 163597

1-piperazineacetamide, n-cyclohexyl-, dimethanesulfonate

Structural Information

Molecular Formula

C₁₂H₂₃N₃O

SMILES

C1CCC(CC1)N2CCN(CC2)CC(=O)N

InChI

InChI=1S/C12H23N3O/c13-12(16)10-14-6-8-15(9-7-14)11-4-2-1-3-5-11/h11H,1-10H2,(H2,13,16)

InChIKey

ZYYGJMCGJDUMOT-UHFFFAOYSA-N

Compound name

2-(4-cyclohexylpiperazin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 225.18411 Da
Monoisotopic Mass: 0.8
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]+	226.191386	156.1
[M+Na]+	248.173328	157.4
[M-H]-	224.176834	157.4
[M+NH4]+	243.217933	170.1
[M+K]+	264.147268	155.0
[M+H-H2O]+	208.181370	146.9
[M+HCOO]-	270.182311	169.5
[M+CH3COO]-	284.197961	191.0
[M+Na-2H]-	246.158776	156.6
[M]+	225.18356142	145.6
[M]-	225.18465858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe