CID 65725163

1567053-41-1

Structural Information

Molecular Formula
C5H7NO3S
SMILES
C1C(C=CS1(=O)=O)NC=O
InChI
InChI=1S/C5H7NO3S/c7-4-6-5-1-2-10(8,9)3-5/h1-2,4-5H,3H2,(H,6,7)
InChIKey
FXMJYQLYXKQPMN-UHFFFAOYSA-N
Compound name
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.01466 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.02194 127.1
[M+Na]+ 184.00388 136.7
[M-H]- 160.00738 131.5
[M+NH4]+ 179.04848 151.8
[M+K]+ 199.97782 135.0
[M+H-H2O]+ 144.01192 123.0
[M+HCOO]- 206.01286 149.0
[M+CH3COO]- 220.02851 172.6
[M+Na-2H]- 181.98933 132.1
[M]+ 161.01411 129.3
[M]- 161.01521 129.3
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.