CID 55263536

1380170-62-6

Structural Information

Molecular Formula

SMILES

C1C(CN1)C2=NC=CS2

InChI

InChI=1S/C6H8N2S/c1-2-9-6(8-1)5-3-7-4-5/h1-2,5,7H,3-4H2

InChIKey

VCKBXHAINCMQCS-UHFFFAOYSA-N

Compound name

2-(azetidin-3-yl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 140.04082 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]+	141.048096	119.8
[M+Na]+	163.030038	126.5
[M-H]-	139.033544	122.6
[M+NH4]+	158.074643	133.8
[M+K]+	179.003978	127.1
[M+H-H2O]+	123.038080	108.0
[M+HCOO]-	185.039021	135.3
[M+CH3COO]-	199.054671	132.6
[M+Na-2H]-	161.015486	122.9
[M]+	140.04027142	126.6
[M]-	140.04136858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe