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
2
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 139.3
[M+Na]+ 214.02569 145.5
[M-H]- 190.02919 144.0
[M+NH4]+ 209.07029 160.1
[M+K]+ 229.99963 147.7
[M+H-H2O]+ 174.03373 132.1
[M+HCOO]- 236.03467 163.3
[M+CH3COO]- 250.05032 193.7
[M+Na-2H]- 212.01114 142.4
[M]+ 191.03592 145.3
[M]- 191.03702 145.3
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.