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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.99646	134.1
[M+Na]+	210.97840	144.5
[M+NH4]+	206.02300	141.2
[M+K]+	226.95234	143.3
[M-H]-	186.98190	134.9
[M+Na-2H]-	208.96385	137.7
[M]+	187.98863	135.8
[M]-	187.98973	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.