CID 11175

4(5h)-thiazolone, 2-amino-

Structural Information

Molecular Formula
C3H4N2OS
SMILES
C1C(=O)N=C(S1)N
InChI
InChI=1S/C3H4N2OS/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)
InChIKey
HYMJHROUVPWYNQ-UHFFFAOYSA-N
Compound name
2-amino-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

809
Patents

116.00443 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.01171 118.2
[M+Na]+ 138.99365 127.9
[M-H]- 114.99715 120.9
[M+NH4]+ 134.03825 141.5
[M+K]+ 154.96759 126.3
[M+H-H2O]+ 99.001690 112.8
[M+HCOO]- 161.00263 138.2
[M+CH3COO]- 175.01828 166.5
[M+Na-2H]- 136.97910 121.3
[M]+ 116.00388 117.4
[M]- 116.00498 117.4
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