CID 53414037

1-cyclopropylpiperazin-2-one

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1CC1N2CCNCC2=O

InChI

InChI=1S/C7H12N2O/c10-7-5-8-3-4-9(7)6-1-2-6/h6,8H,1-5H2

InChIKey

YXPXCDLNZHHGNC-UHFFFAOYSA-N

Compound name

1-cyclopropylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 140.09496 Da
Monoisotopic Mass: -0.3
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]+	141.102236	136.6
[M+Na]+	163.084178	144.6
[M-H]-	139.087684	139.5
[M+NH4]+	158.128783	149.8
[M+K]+	179.058118	141.3
[M+H-H2O]+	123.092220	128.9
[M+HCOO]-	185.093161	154.3
[M+CH3COO]-	199.108811	173.8
[M+Na-2H]-	161.069626	141.4
[M]+	140.09441142	132.9
[M]-	140.09550858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe