CID 9570633

N-nitrosomethomyl

Structural Information

Molecular Formula
C5H9N3O3S
SMILES
C/C(=N\OC(=O)N(C)N=O)/SC
InChI
InChI=1S/C5H9N3O3S/c1-4(12-3)6-11-5(9)8(2)7-10/h1-3H3/b6-4+
InChIKey
UYKFQGJTSPECEU-GQCTYLIASA-N
Compound name
methyl (1E)-N-[methyl(nitroso)carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03647 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04375 141.7
[M+Na]+ 214.02569 148.1
[M+NH4]+ 209.07029 148.0
[M+K]+ 229.99963 143.4
[M-H]- 190.02919 141.7
[M+Na-2H]- 212.01114 144.1
[M]+ 191.03592 142.4
[M]- 191.03702 142.4
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.