CID 2064235

1-(cyclopropylcarbonyl)piperazine

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C1CC1C(=O)N2CCNCC2

InChI

InChI=1S/C8H14N2O/c11-8(7-1-2-7)10-5-3-9-4-6-10/h7,9H,1-6H2

InChIKey

KIALFUYSJAAJSU-UHFFFAOYSA-N

Compound name

cyclopropyl(piperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 900
Patents: 154.11061 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]+	155.11789	140.3
[M+Na]+	177.09983	146.9
[M-H]-	153.10333	142.9
[M+NH4]+	172.14443	152.8
[M+K]+	193.07377	143.9
[M+H-H2O]+	137.10787	132.4
[M+HCOO]-	199.10881	156.9
[M+CH3COO]-	213.12446	175.8
[M+Na-2H]-	175.08528	144.3
[M]+	154.11006	136.0
[M]-	154.11116	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe