CID 422293

2-(2-aminoethyl)-1,3-thiazole-4-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
C1=C(N=C(S1)CCN)C(=O)O
InChI
InChI=1S/C6H8N2O2S/c7-2-1-5-8-4(3-11-5)6(9)10/h3H,1-2,7H2,(H,9,10)
InChIKey
SVTUOAQARVNGAM-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.03065 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 135.1
[M+Na]+ 195.01987 143.7
[M+NH4]+ 190.06447 142.3
[M+K]+ 210.99381 139.7
[M-H]- 171.02337 135.0
[M+Na-2H]- 193.00532 138.2
[M]+ 172.03010 136.3
[M]- 172.03120 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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Patent stripe

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