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

16
Patents

228.05687 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.064146 148.0
[M+Na]+ 251.046088 154.5
[M-H]- 227.049594 151.2
[M+NH4]+ 246.090693 163.4
[M+K]+ 267.020028 153.2
[M+H-H2O]+ 211.054130 141.0
[M+HCOO]- 273.055071 160.5
[M+CH3COO]- 287.070721 181.9
[M+Na-2H]- 249.031536 148.5
[M]+ 228.05632142 147.3
[M]- 228.05741858 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