CID 125515255

Methyl 5-carbamothioylfuran-3-carboxylate

Structural Information

Molecular Formula
C7H7NO3S
SMILES
COC(=O)C1=COC(=C1)C(=S)N
InChI
InChI=1S/C7H7NO3S/c1-10-7(9)4-2-5(6(8)12)11-3-4/h2-3H,1H3,(H2,8,12)
InChIKey
YOMUXBJWROQYRB-UHFFFAOYSA-N
Compound name
methyl 5-carbamothioylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.01466 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.021936 138.1
[M+Na]+ 208.003878 146.5
[M-H]- 184.007384 142.7
[M+NH4]+ 203.048483 158.4
[M+K]+ 223.977818 146.0
[M+H-H2O]+ 168.011920 132.8
[M+HCOO]- 230.012861 157.2
[M+CH3COO]- 244.028511 179.9
[M+Na-2H]- 205.989326 139.0
[M]+ 185.01411142 140.9
[M]- 185.01520858 140.9
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.