CID 23436450

2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CCC1=C(SC(=N1)N)C(=O)O
InChI
InChI=1S/C6H8N2O2S/c1-2-3-4(5(9)10)11-6(7)8-3/h2H2,1H3,(H2,7,8)(H,9,10)
InChIKey
OHUPJQLYQCVDHP-UHFFFAOYSA-N
Compound name
2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

172.03065 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.037926 133.8
[M+Na]+ 195.019868 143.1
[M-H]- 171.023374 135.3
[M+NH4]+ 190.064473 154.3
[M+K]+ 210.993808 140.5
[M+H-H2O]+ 155.027910 128.2
[M+HCOO]- 217.028851 151.9
[M+CH3COO]- 231.044501 176.7
[M+Na-2H]- 193.005316 134.2
[M]+ 172.03010142 134.7
[M]- 172.03119858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe