CID 44122016

1171069-02-5

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₄S

SMILES

CC1=NC(=CN1C)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C11H17N3O4S/c1-8-12-10(7-13(8)2)19(17,18)14-5-3-9(4-6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)

InChIKey

GLQFVIHELXKZGG-UHFFFAOYSA-N

Compound name

1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.09396 Da
Monoisotopic Mass: -0.1
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]+	288.101236	164.3
[M+Na]+	310.083178	172.0
[M-H]-	286.086684	166.1
[M+NH4]+	305.127783	177.6
[M+K]+	326.057118	169.0
[M+H-H2O]+	270.091220	157.4
[M+HCOO]-	332.092161	174.5
[M+CH3COO]-	346.107811	194.2
[M+Na-2H]-	308.068626	163.0
[M]+	287.09341142	164.6
[M]-	287.09450858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.