CID 15057401

59702-10-2

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC(C)N1CCNCC1=O

InChI

InChI=1S/C7H14N2O/c1-6(2)9-4-3-8-5-7(9)10/h6,8H,3-5H2,1-2H3

InChIKey

WAWBBMSQWUPYOW-UHFFFAOYSA-N

Compound name

1-propan-2-ylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 301
Patents: 142.11061 Da
Monoisotopic Mass: -0.1
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]+	143.11789	132.5
[M+Na]+	165.09983	138.2
[M-H]-	141.10333	131.3
[M+NH4]+	160.14443	150.5
[M+K]+	181.07377	136.8
[M+H-H2O]+	125.10787	125.8
[M+HCOO]-	187.10881	148.6
[M+CH3COO]-	201.12446	172.2
[M+Na-2H]-	163.08528	136.2
[M]+	142.11006	127.0
[M]-	142.11116	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe