CID 2761281

127346-42-3

Structural Information

Molecular Formula
C4H5N3O2S2
SMILES
CSC1=NC(=C(S1)[N+](=O)[O-])N
InChI
InChI=1S/C4H5N3O2S2/c1-10-4-6-2(5)3(11-4)7(8)9/h5H2,1H3
InChIKey
ZPCLHYJMLDEAHT-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-5-nitro-1,3-thiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

190.98232 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.98960 131.6
[M+Na]+ 213.97154 140.4
[M-H]- 189.97504 134.1
[M+NH4]+ 209.01614 151.0
[M+K]+ 229.94548 132.8
[M+H-H2O]+ 173.97958 130.0
[M+HCOO]- 235.98052 147.1
[M+CH3COO]- 249.99617 175.3
[M+Na-2H]- 211.95699 134.2
[M]+ 190.98177 130.4
[M]- 190.98287 130.4
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.