CID 16788972

2792202-22-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

CC1=CSC(=N1)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-4-2-8(3-5-12)9(13)14/h6,8H,2-5H2,1H3,(H,13,14)

InChIKey

OCCNNHHMDCZCNB-UHFFFAOYSA-N

Compound name

1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.0776 Da
Monoisotopic Mass: 1.8
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]+	227.084876	149.7
[M+Na]+	249.066818	156.7
[M-H]-	225.070324	152.4
[M+NH4]+	244.111423	166.8
[M+K]+	265.040758	153.7
[M+H-H2O]+	209.074860	142.8
[M+HCOO]-	271.075801	162.4
[M+CH3COO]-	285.091451	183.9
[M+Na-2H]-	247.052266	148.2
[M]+	226.07705142	147.9
[M]-	226.07814858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe