CID 9570353

Bay 78389

Structural Information

Molecular Formula
C6H12N2O2S
SMILES
CCS/C(=N/OC(=O)NC)/C
InChI
InChI=1S/C6H12N2O2S/c1-4-11-5(2)8-10-6(9)7-3/h4H2,1-3H3,(H,7,9)/b8-5+
InChIKey
XNOPWKPHVMIYSY-VMPITWQZSA-N
Compound name
ethyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06923 138.2
[M+Na]+ 199.05117 144.2
[M-H]- 175.05467 140.0
[M+NH4]+ 194.09577 159.0
[M+K]+ 215.02511 144.2
[M+H-H2O]+ 159.05921 132.1
[M+HCOO]- 221.06015 158.6
[M+CH3COO]- 235.07580 184.4
[M+Na-2H]- 197.03662 140.5
[M]+ 176.06140 141.6
[M]- 176.06250 141.6
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.