CID 10954372

1-(methylsulfonyl)piperidine-4-carbaldehyde

Structural Information

Molecular Formula

C₇H₁₃NO₃S

SMILES

CS(=O)(=O)N1CCC(CC1)C=O

InChI

InChI=1S/C7H13NO3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h6-7H,2-5H2,1H3

InChIKey

HRPDHOOLRWLRAR-UHFFFAOYSA-N

Compound name

1-methylsulfonylpiperidine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 191.06161 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]+	192.06889	140.9
[M+Na]+	214.05083	150.3
[M+NH4]+	209.09543	147.9
[M+K]+	230.02477	144.1
[M-H]-	190.05433	140.2
[M+Na-2H]-	212.03628	143.9
[M]+	191.06106	142.2
[M]-	191.06216	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe