CID 24274671

2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=C(SC(=N1)CCN)C(=O)O
InChI
InChI=1S/C7H10N2O2S/c1-4-6(7(10)11)12-5(9-4)2-3-8/h2-3,8H2,1H3,(H,10,11)
InChIKey
SOWLULPAZJGCJU-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.0463 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 138.3
[M+Na]+ 209.035518 147.1
[M-H]- 185.039024 139.5
[M+NH4]+ 204.080123 158.2
[M+K]+ 225.009458 144.3
[M+H-H2O]+ 169.043560 132.5
[M+HCOO]- 231.044501 156.0
[M+CH3COO]- 245.060151 179.7
[M+Na-2H]- 207.020966 138.2
[M]+ 186.04575142 139.5
[M]- 186.04684858 139.5
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