CID 77826

2-pyrrolidinone, 1-phenyl-5-thioxo-

Structural Information

Molecular Formula
C10H9NOS
SMILES
C1CC(=S)N(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H9NOS/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
DFXVYVUGCDPBGD-UHFFFAOYSA-N
Compound name
1-phenyl-5-sulfanylidenepyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

191.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04776 141.0
[M+Na]+ 214.02970 153.5
[M+NH4]+ 209.07430 150.3
[M+K]+ 230.00364 146.2
[M-H]- 190.03320 144.4
[M+Na-2H]- 212.01515 147.5
[M]+ 191.03993 144.1
[M]- 191.04103 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe