CID 57538139

Methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC(C1=NC=C(S1)C(=O)OC)N
InChI
InChI=1S/C7H10N2O2S/c1-4(8)6-9-3-5(12-6)7(10)11-2/h3-4H,8H2,1-2H3
InChIKey
YDDRFSAYNCONTJ-UHFFFAOYSA-N
Compound name
methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

186.0463 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 139.0
[M+Na]+ 209.03552 147.2
[M-H]- 185.03902 141.6
[M+NH4]+ 204.08012 159.4
[M+K]+ 225.00946 145.9
[M+H-H2O]+ 169.04356 132.8
[M+HCOO]- 231.04450 157.3
[M+CH3COO]- 245.06015 181.3
[M+Na-2H]- 207.02097 138.9
[M]+ 186.04575 141.1
[M]- 186.04685 141.1
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