CID 46829489

Einecs 273-969-2

Structural Information

Molecular Formula
C4H8N2O3S
SMILES
CN=C(CS[N+](=O)[O-])OC
InChI
InChI=1S/C4H8N2O3S/c1-5-4(9-2)3-10-6(7)8/h3H2,1-2H3
InChIKey
WRGWFTDVTRWAOR-UHFFFAOYSA-N
Compound name
methyl N-methyl-2-nitrosulfanylethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.02556 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.032836 130.6
[M+Na]+ 187.014778 137.1
[M-H]- 163.018284 132.6
[M+NH4]+ 182.059383 151.2
[M+K]+ 202.988718 133.3
[M+H-H2O]+ 147.022820 129.5
[M+HCOO]- 209.023761 152.5
[M+CH3COO]- 223.039411 174.0
[M+Na-2H]- 185.000226 135.8
[M]+ 164.02501142 132.4
[M]- 164.02610858 132.4
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.