CID 4830835

790263-69-3

Structural Information

Molecular Formula

C₇H₁₁N₃OS

SMILES

C1CCN(C1)CC2=NNC(=S)O2

InChI

InChI=1S/C7H11N3OS/c12-7-9-8-6(11-7)5-10-3-1-2-4-10/h1-5H2,(H,9,12)

InChIKey

GLZYSXWJRVDFFL-UHFFFAOYSA-N

Compound name

5-(pyrrolidin-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 185.06229 Da
Monoisotopic Mass: 0.9
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]+	186.06957	137.8
[M+Na]+	208.05151	147.1
[M-H]-	184.05501	140.5
[M+NH4]+	203.09611	156.0
[M+K]+	224.02545	145.3
[M+H-H2O]+	168.05955	131.1
[M+HCOO]-	230.06049	152.6
[M+CH3COO]-	244.07614	150.6
[M+Na-2H]-	206.03696	137.9
[M]+	185.06174	137.1
[M]-	185.06284	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe