CID 3437502

27561-62-2

Structural Information

Molecular Formula

C₁₁H₂₀N₂O

SMILES

C1CCC(CC1)C(=O)N2CCNCC2

InChI

InChI=1S/C11H20N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h10,12H,1-9H2

InChIKey

ZSZROXCAFYZNHE-UHFFFAOYSA-N

Compound name

cyclohexyl(piperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 196.15756 Da
Monoisotopic Mass: 1.1
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]+	197.16484	148.8
[M+Na]+	219.14678	150.0
[M-H]-	195.15028	149.1
[M+NH4]+	214.19138	163.6
[M+K]+	235.12072	147.5
[M+H-H2O]+	179.15482	140.1
[M+HCOO]-	241.15576	160.7
[M+CH3COO]-	255.17141	179.4
[M+Na-2H]-	217.13223	150.5
[M]+	196.15701	137.3
[M]-	196.15811	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe