CID 15029729

N,n-dimethyl-5-oxothiolane-3-carboxamide

Structural Information

Molecular Formula
C7H11NO2S
SMILES
CN(C)C(=O)C1CC(=O)SC1
InChI
InChI=1S/C7H11NO2S/c1-8(2)7(10)5-3-6(9)11-4-5/h5H,3-4H2,1-2H3
InChIKey
USVKSCLAPYBOGS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-oxothiolane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.05106 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05834 137.1
[M+Na]+ 196.04028 143.8
[M-H]- 172.04378 142.2
[M+NH4]+ 191.08488 160.0
[M+K]+ 212.01422 143.8
[M+H-H2O]+ 156.04832 131.7
[M+HCOO]- 218.04926 155.9
[M+CH3COO]- 232.06491 181.8
[M+Na-2H]- 194.02573 136.6
[M]+ 173.05051 138.0
[M]- 173.05161 138.0
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

No patent data available for this compound.