CID 8026606

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 145.5
[M+Na]+ 241.04061 158.6
[M+NH4]+ 236.08521 155.2
[M+K]+ 257.01455 153.0
[M-H]- 217.04411 148.8
[M+Na-2H]- 239.02606 152.0
[M]+ 218.05084 148.8
[M]- 218.05194 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.