CID 116984957

1-methyl-2-(oxetan-3-yl)piperazine

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CN1CCNCC1C2COC2

InChI

InChI=1S/C8H16N2O/c1-10-3-2-9-4-8(10)7-5-11-6-7/h7-9H,2-6H2,1H3

InChIKey

UDRCDLNAGQNHRE-UHFFFAOYSA-N

Compound name

1-methyl-2-(oxetan-3-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.12627 Da
Monoisotopic Mass: -0.4
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	131.0
[M+Na]+	179.11549	134.8
[M-H]-	155.11899	133.1
[M+NH4]+	174.16009	140.8
[M+K]+	195.08943	137.4
[M+H-H2O]+	139.12353	118.6
[M+HCOO]-	201.12447	145.2
[M+CH3COO]-	215.14012	177.0
[M+Na-2H]-	177.10094	136.2
[M]+	156.12572	133.8
[M]-	156.12682	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.