CID 62312737

Sodium 2-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]acetate

Structural Information

Molecular Formula
C9H11NO3S
SMILES
C1COCC1C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C9H11NO3S/c11-8(12)3-7-5-14-9(10-7)6-1-2-13-4-6/h5-6H,1-4H2,(H,11,12)
InChIKey
UVEOPFQMVYAQDX-UHFFFAOYSA-N
Compound name
2-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04596 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 145.8
[M+Na]+ 236.03518 153.4
[M-H]- 212.03868 151.0
[M+NH4]+ 231.07978 165.2
[M+K]+ 252.00912 152.6
[M+H-H2O]+ 196.04322 140.5
[M+HCOO]- 258.04416 161.8
[M+CH3COO]- 272.05981 179.1
[M+Na-2H]- 234.02063 144.9
[M]+ 213.04541 147.0
[M]- 213.04651 147.0
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.