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]+ 215.08488 147.0
[M+Na]+ 237.06682 155.5
[M-H]- 213.07032 149.4
[M+NH4]+ 232.11142 166.6
[M+K]+ 253.04076 153.2
[M+H-H2O]+ 197.07486 140.7
[M+HCOO]- 259.07580 165.7
[M+CH3COO]- 273.09145 187.6
[M+Na-2H]- 235.05227 146.4
[M]+ 214.07705 150.8
[M]- 214.07815 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.