CID 17842387

Potassium 4-[(morpholin-4-yl)methyl]-1,3-thiazole-2-carboxylate

Structural Information

Molecular Formula
C9H12N2O3S
SMILES
C1COCCN1CC2=CSC(=N2)C(=O)O
InChI
InChI=1S/C9H12N2O3S/c12-9(13)8-10-7(6-15-8)5-11-1-3-14-4-2-11/h6H,1-5H2,(H,12,13)
InChIKey
OWHANKLGHRGLRA-UHFFFAOYSA-N
Compound name
4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

228.05687 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06415 148.6
[M+Na]+ 251.04609 158.3
[M+NH4]+ 246.09069 155.6
[M+K]+ 267.02003 154.1
[M-H]- 227.04959 150.7
[M+Na-2H]- 249.03154 152.1
[M]+ 228.05632 150.7
[M]- 228.05742 150.7
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