CID 12416330

5-amino-1,3-thiazole

Structural Information

Molecular Formula
C3H4N2S
SMILES
C1=C(SC=N1)N
InChI
InChI=1S/C3H4N2S/c4-3-1-5-2-6-3/h1-2H,4H2
InChIKey
LKFXYYLRIUSARI-UHFFFAOYSA-N
Compound name
1,3-thiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

982
Patents

100.00952 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.01680 113.9
[M+Na]+ 122.99874 123.6
[M-H]- 99.002244 116.6
[M+NH4]+ 118.04334 137.7
[M+K]+ 138.97268 122.1
[M+H-H2O]+ 83.006780 108.3
[M+HCOO]- 145.00772 134.9
[M+CH3COO]- 159.02337 164.0
[M+Na-2H]- 120.98419 118.6
[M]+ 100.00897 113.4
[M]- 100.01007 113.4
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