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]+ 184.02876 131.9
[M+Na]+ 206.01070 139.4
[M-H]- 182.01420 137.0
[M+NH4]+ 201.05530 151.9
[M+K]+ 221.98464 133.0
[M+H-H2O]+ 166.01874 128.6
[M+HCOO]- 228.01968 158.0
[M+CH3COO]- 242.03533 182.6
[M+Na-2H]- 203.99615 138.5
[M]+ 183.02093 129.5
[M]- 183.02203 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.