CID 3034165

Glutarimide, 2-thio-

Structural Information

Molecular Formula
C5H7NOS
SMILES
C1CC(=O)NC(=S)C1
InChI
InChI=1S/C5H7NOS/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)
InChIKey
JTZRBPSHQZOCBU-UHFFFAOYSA-N
Compound name
6-sulfanylidenepiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

129.02484 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 123.4
[M+Na]+ 152.014058 130.7
[M-H]- 128.017564 124.2
[M+NH4]+ 147.058663 143.9
[M+K]+ 167.987998 127.9
[M+H-H2O]+ 112.022100 118.2
[M+HCOO]- 174.023041 137.5
[M+CH3COO]- 188.038691 165.5
[M+Na-2H]- 149.999506 126.1
[M]+ 129.02429142 118.9
[M]- 129.02538858 118.9
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

patents stripe