CID 7131626

874623-60-6

Structural Information

Molecular Formula

C₉H₁₂N₂O₂S

SMILES

C1CN(CCC1C(=O)O)C2=NC=CS2

InChI

InChI=1S/C9H12N2O2S/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9/h3,6-7H,1-2,4-5H2,(H,12,13)

InChIKey

RBLAPOMCQIFXCT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 212.06195 Da
Monoisotopic Mass: 1.4
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]+	213.069226	145.4
[M+Na]+	235.051168	152.0
[M-H]-	211.054674	148.0
[M+NH4]+	230.095773	162.8
[M+K]+	251.025108	149.3
[M+H-H2O]+	195.059210	138.4
[M+HCOO]-	257.060151	158.5
[M+CH3COO]-	271.075801	179.7
[M+Na-2H]-	233.036616	145.1
[M]+	212.06140142	142.9
[M]-	212.06249858	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe