CID 62384828

1343317-66-7

Structural Information

Molecular Formula
C9H11NO3S
SMILES
C1COCCC1C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C9H11NO3S/c11-9(12)7-5-10-8(14-7)6-1-3-13-4-2-6/h5-6H,1-4H2,(H,11,12)
InChIKey
SBXVQXNODXBJMB-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04596 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 144.2
[M+Na]+ 236.03518 150.7
[M-H]- 212.03868 148.8
[M+NH4]+ 231.07978 161.6
[M+K]+ 252.00912 149.6
[M+H-H2O]+ 196.04322 138.1
[M+HCOO]- 258.04416 158.0
[M+CH3COO]- 272.05981 179.1
[M+Na-2H]- 234.02063 144.9
[M]+ 213.04541 143.1
[M]- 213.04651 143.1
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

No patent data available for this compound.