CID 8026606

81093-59-6

Structural Information

Molecular Formula

C₁₁H₁₀N₂OS

SMILES

C1CC(=O)N(C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C11H10N2OS/c14-10-6-3-7-13(10)11-12-8-4-1-2-5-9(8)15-11/h1-2,4-5H,3,6-7H2

InChIKey

IPVOAMZAIZLBIF-UHFFFAOYSA-N

Compound name

1-(1,3-benzothiazol-2-yl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 218.05139 Da
Monoisotopic Mass: 2.1
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]+	219.05867	145.6
[M+Na]+	241.04061	157.1
[M-H]-	217.04411	152.1
[M+NH4]+	236.08521	167.2
[M+K]+	257.01455	153.4
[M+H-H2O]+	201.04865	139.4
[M+HCOO]-	263.04959	164.3
[M+CH3COO]-	277.06524	159.7
[M+Na-2H]-	239.02606	147.2
[M]+	218.05084	148.2
[M]-	218.05194	148.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.