CID 46785271

2-(pyrrolidin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S₂

SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(S3)C(=O)O

InChI

InChI=1S/C10H10N2O2S2/c13-9(14)7-5-6-8(15-7)11-10(16-6)12-3-1-2-4-12/h5H,1-4H2,(H,13,14)

InChIKey

SSIJREFNTJCFIQ-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.01837 Da
Monoisotopic Mass: 3.2
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]+	255.025646	155.1
[M+Na]+	277.007588	166.7
[M-H]-	253.011094	160.9
[M+NH4]+	272.052193	176.8
[M+K]+	292.981528	163.8
[M+H-H2O]+	237.015630	151.5
[M+HCOO]-	299.016571	167.6
[M+CH3COO]-	313.032221	168.2
[M+Na-2H]-	274.993036	151.8
[M]+	254.01782142	159.2
[M]-	254.01891858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.