CID 16228148

1-(2-methylcyclopropanecarbonyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

CC1CC1C(=O)N2CCNCC2

InChI

InChI=1S/C9H16N2O/c1-7-6-8(7)9(12)11-4-2-10-3-5-11/h7-8,10H,2-6H2,1H3

InChIKey

SMLHLXHCIJUNJT-UHFFFAOYSA-N

Compound name

(2-methylcyclopropyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 168.12627 Da
Monoisotopic Mass: 0.0
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]+	169.133546	144.4
[M+Na]+	191.115488	151.4
[M-H]-	167.118994	147.1
[M+NH4]+	186.160093	156.6
[M+K]+	207.089428	148.1
[M+H-H2O]+	151.123530	136.6
[M+HCOO]-	213.124471	160.6
[M+CH3COO]-	227.140121	179.7
[M+Na-2H]-	189.100936	147.2
[M]+	168.12572142	140.8
[M]-	168.12681858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe