CID 129978154

1337880-63-3

Structural Information

Molecular Formula
C5H4N2O4S
SMILES
COC(=O)C1=NC(=CS1)[N+](=O)[O-]
InChI
InChI=1S/C5H4N2O4S/c1-11-5(8)4-6-3(2-12-4)7(9)10/h2H,1H3
InChIKey
ASFYUEVOHQXHCW-UHFFFAOYSA-N
Compound name
methyl 4-nitro-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.98918 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99646 134.7
[M+Na]+ 210.97840 143.1
[M-H]- 186.98190 138.0
[M+NH4]+ 206.02300 154.4
[M+K]+ 226.95234 138.4
[M+H-H2O]+ 170.98644 133.3
[M+HCOO]- 232.98738 155.4
[M+CH3COO]- 247.00303 171.3
[M+Na-2H]- 208.96385 139.1
[M]+ 187.98863 136.4
[M]- 187.98973 136.4
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.