CID 138006955

2241128-29-8

Structural Information

Molecular Formula
C8H13N3O2S
SMILES
CCOC(=O)C1=C(SC(=N1)C(C)N)N
InChI
InChI=1S/C8H13N3O2S/c1-3-13-8(12)5-6(10)14-7(11-5)4(2)9/h4H,3,9-10H2,1-2H3
InChIKey
DSVWBOSPQFZRBO-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07285 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.080126 146.9
[M+Na]+ 238.062068 154.5
[M-H]- 214.065574 148.9
[M+NH4]+ 233.106673 165.6
[M+K]+ 254.036008 152.4
[M+H-H2O]+ 198.070110 140.2
[M+HCOO]- 260.071051 165.1
[M+CH3COO]- 274.086701 190.0
[M+Na-2H]- 236.047516 145.3
[M]+ 215.07230142 147.9
[M]- 215.07339858 147.9
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

No patent data available for this compound.