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]+ 160.00629 129.3
[M+Na]+ 181.98823 138.1
[M-H]- 157.99173 130.8
[M+NH4]+ 177.03283 150.3
[M+K]+ 197.96217 136.9
[M+H-H2O]+ 141.99627 123.7
[M+HCOO]- 203.99721 147.7
[M+CH3COO]- 218.01286 169.2
[M+Na-2H]- 179.97368 132.1
[M]+ 158.99846 132.3
[M]- 158.99956 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.