CID 17612069

4-methanesulfonylpiperazine-1-carbaldehyde

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: 107
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	139.1
[M+Na]+	215.04609	146.7
[M-H]-	191.04959	139.8
[M+NH4]+	210.09069	156.3
[M+K]+	231.02003	145.1
[M+H-H2O]+	175.05413	132.8
[M+HCOO]-	237.05507	152.1
[M+CH3COO]-	251.07072	177.7
[M+Na-2H]-	213.03154	142.6
[M]+	192.05632	138.9
[M]-	192.05742	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe