CID 122164053

2-(azidomethyl)-1,3-thiazole-4-carboxamide

Structural Information

Molecular Formula
C5H5N5OS
SMILES
C1=C(N=C(S1)CN=[N+]=[N-])C(=O)N
InChI
InChI=1S/C5H5N5OS/c6-5(11)3-2-12-4(9-3)1-8-10-7/h2H,1H2,(H2,6,11)
InChIKey
IWQHURSSBGPCDM-UHFFFAOYSA-N
Compound name
2-(azidomethyl)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.02148 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.028756 131.9
[M+Na]+ 206.010698 139.4
[M-H]- 182.014204 137.0
[M+NH4]+ 201.055303 151.9
[M+K]+ 221.984638 133.0
[M+H-H2O]+ 166.018740 128.6
[M+HCOO]- 228.019681 158.0
[M+CH3COO]- 242.035331 182.6
[M+Na-2H]- 203.996146 138.5
[M]+ 183.02093142 129.5
[M]- 183.02202858 129.5
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.