CID 485048

2-(1-aminoethyl)-1,3-thiazole-4-carboxamide

Structural Information

Molecular Formula
C6H9N3OS
SMILES
CC(C1=NC(=CS1)C(=O)N)N
InChI
InChI=1S/C6H9N3OS/c1-3(7)6-9-4(2-11-6)5(8)10/h2-3H,7H2,1H3,(H2,8,10)
InChIKey
LOKSNXLAIYOQKO-UHFFFAOYSA-N
Compound name
2-(1-aminoethyl)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

171.04663 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05391 134.9
[M+Na]+ 194.03585 142.6
[M-H]- 170.03935 136.9
[M+NH4]+ 189.08045 155.2
[M+K]+ 210.00979 140.6
[M+H-H2O]+ 154.04389 128.4
[M+HCOO]- 216.04483 153.5
[M+CH3COO]- 230.06048 181.3
[M+Na-2H]- 192.02130 134.8
[M]+ 171.04608 133.5
[M]- 171.04718 133.5
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.