CID 116527168

2138084-16-7

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CCOC(=O)C1=C(SC(=N1)CCN)C
InChI
InChI=1S/C9H14N2O2S/c1-3-13-9(12)8-6(2)14-7(11-8)4-5-10/h3-5,10H2,1-2H3
InChIKey
UYIJYVCJBSDWFP-UHFFFAOYSA-N
Compound name
ethyl 2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0776 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.084876 147.0
[M+Na]+ 237.066818 155.5
[M-H]- 213.070324 149.4
[M+NH4]+ 232.111423 166.6
[M+K]+ 253.040758 153.2
[M+H-H2O]+ 197.074860 140.7
[M+HCOO]- 259.075801 165.7
[M+CH3COO]- 273.091451 187.6
[M+Na-2H]- 235.052266 146.4
[M]+ 214.07705142 150.8
[M]- 214.07814858 150.8
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.