CID 2513435

160758-18-9

Structural Information

Molecular Formula

C₇H₉N₃O₂S

SMILES

C1CC(=O)N(C1)CC2=NNC(=S)O2

InChI

InChI=1S/C7H9N3O2S/c11-6-2-1-3-10(6)4-5-8-9-7(13)12-5/h1-4H2,(H,9,13)

InChIKey

KEFULOLFGBVEJN-UHFFFAOYSA-N

Compound name

1-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.04155 Da
Monoisotopic Mass: 0.0
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]+	200.04883	140.7
[M+Na]+	222.03077	151.0
[M-H]-	198.03427	143.8
[M+NH4]+	217.07537	158.4
[M+K]+	238.00471	148.9
[M+H-H2O]+	182.03881	134.4
[M+HCOO]-	244.03975	155.9
[M+CH3COO]-	258.05540	153.6
[M+Na-2H]-	220.01622	140.2
[M]+	199.04100	141.1
[M]-	199.04210	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe