CID 116527153

2137695-98-6

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CCOC(=O)C1=C(SC(=N1)CN)C
InChI
InChI=1S/C8H12N2O2S/c1-3-12-8(11)7-5(2)13-6(4-9)10-7/h3-4,9H2,1-2H3
InChIKey
DDPIYGHOSBBGIK-UHFFFAOYSA-N
Compound name
ethyl 2-(aminomethyl)-5-methyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06195 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.069226 142.6
[M+Na]+ 223.051168 151.5
[M-H]- 199.054674 145.2
[M+NH4]+ 218.095773 162.8
[M+K]+ 239.025108 149.4
[M+H-H2O]+ 183.059210 136.4
[M+HCOO]- 245.060151 161.5
[M+CH3COO]- 259.075801 184.6
[M+Na-2H]- 221.036616 142.5
[M]+ 200.06140142 146.0
[M]- 200.06249858 146.0
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.