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

15
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 148.0
[M+Na]+ 251.04609 154.5
[M-H]- 227.04959 151.2
[M+NH4]+ 246.09069 163.4
[M+K]+ 267.02003 153.2
[M+H-H2O]+ 211.05413 141.0
[M+HCOO]- 273.05507 160.5
[M+CH3COO]- 287.07072 181.9
[M+Na-2H]- 249.03154 148.5
[M]+ 228.05632 147.3
[M]- 228.05742 147.3
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