CID 17612069

139605-60-0

Structural Information

Molecular Formula

C₆H₁₂N₂O₃S

SMILES

CS(=O)(=O)N1CCN(CC1)C=O

InChI

InChI=1S/C6H12N2O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h6H,2-5H2,1H3

InChIKey

KWZZJCDZLWFHNU-UHFFFAOYSA-N

Compound name

4-methylsulfonylpiperazine-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 192.05687 Da
Monoisotopic Mass: -1.2
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]+	193.06415	141.1
[M+Na]+	215.04609	150.4
[M+NH4]+	210.09069	147.4
[M+K]+	231.02003	144.7
[M-H]-	191.04959	139.6
[M+Na-2H]-	213.03154	143.8
[M]+	192.05632	142.1
[M]-	192.05742	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe