CID 2090946

Potassium 2-(allylamino)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C=CCNC1=NC(=CS1)C(=O)O
InChI
InChI=1S/C7H8N2O2S/c1-2-3-8-7-9-5(4-12-7)6(10)11/h2,4H,1,3H2,(H,8,9)(H,10,11)
InChIKey
JGXNEZRETDHIHU-UHFFFAOYSA-N
Compound name
2-(prop-2-enylamino)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

184.03065 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03793 137.5
[M+Na]+ 207.01987 145.8
[M-H]- 183.02337 139.0
[M+NH4]+ 202.06447 157.4
[M+K]+ 222.99381 142.7
[M+H-H2O]+ 167.02791 131.5
[M+HCOO]- 229.02885 156.1
[M+CH3COO]- 243.04450 178.3
[M+Na-2H]- 205.00532 139.1
[M]+ 184.03010 138.7
[M]- 184.03120 138.7
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

No patent data available for this compound.