CID 16226756

1052541-78-2

Structural Information

Molecular Formula

C₁₀H₁₇NO₄S

SMILES

C1CN(CCC1C(=O)O)C2CCS(=O)(=O)C2

InChI

InChI=1S/C10H17NO4S/c12-10(13)8-1-4-11(5-2-8)9-3-6-16(14,15)7-9/h8-9H,1-7H2,(H,12,13)

InChIKey

LZGSJQNRMQTUOM-UHFFFAOYSA-N

Compound name

1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 247.08783 Da
Monoisotopic Mass: -2.4
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]+	248.09511	154.8
[M+Na]+	270.07705	162.1
[M+NH4]+	265.12165	162.7
[M+K]+	286.05099	156.4
[M-H]-	246.08055	154.8
[M+Na-2H]-	268.06250	158.0
[M]+	247.08728	155.9
[M]-	247.08838	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe