CID 6507150

Du pont 1642

Structural Information

Molecular Formula
C4H8N2O2S
SMILES
C/C(=N/OC(=O)N)/SC
InChI
InChI=1S/C4H8N2O2S/c1-3(9-2)6-8-4(5)7/h1-2H3,(H2,5,7)/b6-3-
InChIKey
VCFUBFMWDABVJZ-UTCJRWHESA-N
Compound name
methyl (1Z)-N-carbamoyloxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

148.03065 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03793 129.4
[M+Na]+ 171.01987 136.1
[M-H]- 147.02337 130.9
[M+NH4]+ 166.06447 150.9
[M+K]+ 186.99381 136.1
[M+H-H2O]+ 131.02791 123.5
[M+HCOO]- 193.02885 149.7
[M+CH3COO]- 207.04450 178.4
[M+Na-2H]- 169.00532 131.5
[M]+ 148.03010 131.0
[M]- 148.03120 131.0
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

patents stripe