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

56
Patents

191.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.047756 139.3
[M+Na]+ 214.029698 148.7
[M-H]- 190.033204 145.3
[M+NH4]+ 209.074303 160.1
[M+K]+ 230.003638 144.9
[M+H-H2O]+ 174.037740 133.1
[M+HCOO]- 236.038681 157.3
[M+CH3COO]- 250.054331 179.6
[M+Na-2H]- 212.015146 140.2
[M]+ 191.03993142 138.7
[M]- 191.04102858 138.7
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