CID 8486

2-amino-5-nitrothiazole

Structural Information

Molecular Formula
C3H3N3O2S
SMILES
C1=C(SC(=N1)N)[N+](=O)[O-]
InChI
InChI=1S/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5)
InChIKey
MIHADVKEHAFNPG-UHFFFAOYSA-N
Compound name
5-nitro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

34
References

1155
Patents

144.9946 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00188 121.7
[M+Na]+ 167.98382 130.5
[M-H]- 143.98732 124.6
[M+NH4]+ 163.02842 142.8
[M+K]+ 183.95776 124.8
[M+H-H2O]+ 127.99186 120.3
[M+HCOO]- 189.99280 143.8
[M+CH3COO]- 204.00845 166.1
[M+Na-2H]- 165.96927 127.5
[M]+ 144.99405 119.6
[M]- 144.99515 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe