CID 19815142

141923-89-9

Structural Information

Molecular Formula

C₇H₁₆N₂O₂S

SMILES

CC1(CN(CCN1)S(=O)(=O)C)C

InChI

InChI=1S/C7H16N2O2S/c1-7(2)6-9(5-4-8-7)12(3,10)11/h8H,4-6H2,1-3H3

InChIKey

XGPSKFQWNTUFSH-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1-methylsulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 192.09325 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]+	193.100526	140.7
[M+Na]+	215.082468	148.1
[M-H]-	191.085974	140.0
[M+NH4]+	210.127073	159.4
[M+K]+	231.056408	145.9
[M+H-H2O]+	175.090510	135.6
[M+HCOO]-	237.091451	151.4
[M+CH3COO]-	251.107101	176.4
[M+Na-2H]-	213.067916	144.6
[M]+	192.09270142	138.7
[M]-	192.09379858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe