CID 15620640

Ethyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate hydrobromide

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CCOC(=O)C1=CSC(=N1)CCN
InChI
InChI=1S/C8H12N2O2S/c1-2-12-8(11)6-5-13-7(10-6)3-4-9/h5H,2-4,9H2,1H3
InChIKey
HGPIXDICNGNWDX-UHFFFAOYSA-N
Compound name
ethyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

200.06195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 142.9
[M+Na]+ 223.05117 150.9
[M-H]- 199.05467 145.1
[M+NH4]+ 218.09577 162.8
[M+K]+ 239.02511 148.9
[M+H-H2O]+ 183.05921 136.4
[M+HCOO]- 245.06015 161.9
[M+CH3COO]- 259.07580 183.4
[M+Na-2H]- 221.03662 143.4
[M]+ 200.06140 145.9
[M]- 200.06250 145.9
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

patents stripe