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

35
Patents

186.0463 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 139.0
[M+Na]+ 209.035518 147.2
[M-H]- 185.039024 141.6
[M+NH4]+ 204.080123 159.4
[M+K]+ 225.009458 145.9
[M+H-H2O]+ 169.043560 132.8
[M+HCOO]- 231.044501 157.3
[M+CH3COO]- 245.060151 181.3
[M+Na-2H]- 207.020966 138.9
[M]+ 186.04575142 141.1
[M]- 186.04684858 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