CID 44827702

3-isopropyl-1-methylpiperazin-2-one

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CC(C)C1C(=O)N(CCN1)C

InChI

InChI=1S/C8H16N2O/c1-6(2)7-8(11)10(3)5-4-9-7/h6-7,9H,4-5H2,1-3H3

InChIKey

ZZOGALOMUFZTHH-UHFFFAOYSA-N

Compound name

1-methyl-3-propan-2-ylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 156.12627 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]+	157.13355	136.6
[M+Na]+	179.11549	142.9
[M-H]-	155.11899	135.6
[M+NH4]+	174.16009	154.4
[M+K]+	195.08943	141.2
[M+H-H2O]+	139.12353	130.1
[M+HCOO]-	201.12447	152.3
[M+CH3COO]-	215.14012	176.4
[M+Na-2H]-	177.10094	139.1
[M]+	156.12572	131.8
[M]-	156.12682	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe