CID 121553405

Methyl 2-(azidomethyl)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C6H6N4O2S
SMILES
COC(=O)C1=CSC(=N1)CN=[N+]=[N-]
InChI
InChI=1S/C6H6N4O2S/c1-12-6(11)4-3-13-5(9-4)2-8-10-7/h3H,2H2,1H3
InChIKey
RAFPDAGHAGVILE-UHFFFAOYSA-N
Compound name
methyl 2-(azidomethyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.02115 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.028426 138.2
[M+Na]+ 221.010368 146.2
[M-H]- 197.013874 143.9
[M+NH4]+ 216.054973 158.4
[M+K]+ 236.984308 140.6
[M+H-H2O]+ 181.018410 135.2
[M+HCOO]- 243.019351 164.0
[M+CH3COO]- 257.035001 183.0
[M+Na-2H]- 218.995816 144.7
[M]+ 198.02060142 139.2
[M]- 198.02169858 139.2
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.