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]+ 186.02194 138.1
[M+Na]+ 208.00388 146.5
[M-H]- 184.00738 142.7
[M+NH4]+ 203.04848 158.4
[M+K]+ 223.97782 146.0
[M+H-H2O]+ 168.01192 132.8
[M+HCOO]- 230.01286 157.2
[M+CH3COO]- 244.02851 179.9
[M+Na-2H]- 205.98933 139.0
[M]+ 185.01411 140.9
[M]- 185.01521 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.