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]+ 174.058336 137.1
[M+Na]+ 196.040278 143.8
[M-H]- 172.043784 142.2
[M+NH4]+ 191.084883 160.0
[M+K]+ 212.014218 143.8
[M+H-H2O]+ 156.048320 131.7
[M+HCOO]- 218.049261 155.9
[M+CH3COO]- 232.064911 181.8
[M+Na-2H]- 194.025726 136.6
[M]+ 173.05051142 138.0
[M]- 173.05160858 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.