CID 75356563

2-[(pyrrolidin-3-yloxy)methyl]-1,3-thiazole

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

C1CNCC1OCC2=NC=CS2

InChI

InChI=1S/C8H12N2OS/c1-2-9-5-7(1)11-6-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2

InChIKey

BNHTVWFUKJBIGY-UHFFFAOYSA-N

Compound name

2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 184.06703 Da
Monoisotopic Mass: 0.4
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]+	185.074306	139.0
[M+Na]+	207.056248	146.5
[M-H]-	183.059754	142.0
[M+NH4]+	202.100853	159.5
[M+K]+	223.030188	144.4
[M+H-H2O]+	167.064290	132.3
[M+HCOO]-	229.065231	155.5
[M+CH3COO]-	243.080881	151.6
[M+Na-2H]-	205.041696	139.1
[M]+	184.06648142	138.0
[M]-	184.06757858	138.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.