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]+ 216.08013 146.9
[M+Na]+ 238.06207 154.5
[M-H]- 214.06557 148.9
[M+NH4]+ 233.10667 165.6
[M+K]+ 254.03601 152.4
[M+H-H2O]+ 198.07011 140.2
[M+HCOO]- 260.07105 165.1
[M+CH3COO]- 274.08670 190.0
[M+Na-2H]- 236.04752 145.3
[M]+ 215.07230 147.9
[M]- 215.07340 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.