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]+ 162.021936 127.1
[M+Na]+ 184.003878 136.7
[M-H]- 160.007384 131.5
[M+NH4]+ 179.048483 151.8
[M+K]+ 199.977818 135.0
[M+H-H2O]+ 144.011920 123.0
[M+HCOO]- 206.012861 149.0
[M+CH3COO]- 220.028511 172.6
[M+Na-2H]- 181.989326 132.1
[M]+ 161.01411142 129.3
[M]- 161.01520858 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.