CID 2090946

5936-83-4

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

1
Patents

184.03065 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.037926 137.5
[M+Na]+ 207.019868 145.8
[M-H]- 183.023374 139.0
[M+NH4]+ 202.064473 157.4
[M+K]+ 222.993808 142.7
[M+H-H2O]+ 167.027910 131.5
[M+HCOO]- 229.028851 156.1
[M+CH3COO]- 243.044501 178.3
[M+Na-2H]- 205.005316 139.1
[M]+ 184.03010142 138.7
[M]- 184.03119858 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.