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

41
Patents

129.02484 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.03212 123.4
[M+Na]+ 152.01406 130.7
[M-H]- 128.01756 124.2
[M+NH4]+ 147.05866 143.9
[M+K]+ 167.98800 127.9
[M+H-H2O]+ 112.02210 118.2
[M+HCOO]- 174.02304 137.5
[M+CH3COO]- 188.03869 165.5
[M+Na-2H]- 149.99951 126.1
[M]+ 129.02429 118.9
[M]- 129.02539 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