CID 132312878

2-(1,2-thiazol-3-yloxy)acetic acid

Structural Information

Molecular Formula
C5H5NO3S
SMILES
C1=CSN=C1OCC(=O)O
InChI
InChI=1S/C5H5NO3S/c7-5(8)3-9-4-1-2-10-6-4/h1-2H,3H2,(H,7,8)
InChIKey
TXSSFUAQFNUBSH-UHFFFAOYSA-N
Compound name
2-(1,2-thiazol-3-yloxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.99901 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.006286 129.3
[M+Na]+ 181.988228 138.1
[M-H]- 157.991734 130.8
[M+NH4]+ 177.032833 150.3
[M+K]+ 197.962168 136.9
[M+H-H2O]+ 141.996270 123.7
[M+HCOO]- 203.997211 147.7
[M+CH3COO]- 218.012861 169.2
[M+Na-2H]- 179.973676 132.1
[M]+ 158.99846142 132.3
[M]- 158.99955858 132.3
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

No patent data available for this compound.