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]+ 199.02843 138.2
[M+Na]+ 221.01037 146.2
[M-H]- 197.01387 143.9
[M+NH4]+ 216.05497 158.4
[M+K]+ 236.98431 140.6
[M+H-H2O]+ 181.01841 135.2
[M+HCOO]- 243.01935 164.0
[M+CH3COO]- 257.03500 183.0
[M+Na-2H]- 218.99582 144.7
[M]+ 198.02060 139.2
[M]- 198.02170 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.