CID 3034144

Succinimide, thio-

Structural Information

Molecular Formula
C4H5NOS
SMILES
C1CC(=S)NC1=O
InChI
InChI=1S/C4H5NOS/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
InChIKey
WJQDJDVDXAAXSB-UHFFFAOYSA-N
Compound name
5-sulfanylidenepyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3073
Patents

115.009186 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.016462 120.5
[M+Na]+ 137.998404 129.4
[M-H]- 114.001910 121.8
[M+NH4]+ 133.043009 143.5
[M+K]+ 153.972344 127.0
[M+H-H2O]+ 98.006446 115.7
[M+HCOO]- 160.007387 137.0
[M+CH3COO]- 174.023037 162.3
[M+Na-2H]- 135.983852 122.1
[M]+ 115.00863742 117.8
[M]- 115.00973458 117.8
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

patents stripe