CID 44890815

856845-64-2

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC(C)C1C(=O)NCCN1

InChI

InChI=1S/C7H14N2O/c1-5(2)6-7(10)9-4-3-8-6/h5-6,8H,3-4H2,1-2H3,(H,9,10)

InChIKey

CMYZSPVNMZJMRZ-UHFFFAOYSA-N

Compound name

3-propan-2-ylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 142.11061 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]+	143.117886	133.5
[M+Na]+	165.099828	138.8
[M-H]-	141.103334	130.9
[M+NH4]+	160.144433	150.8
[M+K]+	181.073768	136.4
[M+H-H2O]+	125.107870	127.1
[M+HCOO]-	187.108811	148.1
[M+CH3COO]-	201.124461	169.6
[M+Na-2H]-	163.085276	136.7
[M]+	142.11006142	126.1
[M]-	142.11115858	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe