CID 83484388

Sodium 2-(oxetan-3-yloxy)benzoate

Structural Information

Molecular Formula
C10H10O4
SMILES
C1C(CO1)OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C10H10O4/c11-10(12)8-3-1-2-4-9(8)14-7-5-13-6-7/h1-4,7H,5-6H2,(H,11,12)
InChIKey
GNGZGZGZTCNOFE-UHFFFAOYSA-N
Compound name
2-(oxetan-3-yloxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.9
[M+Na]+ 217.04712 145.2
[M+NH4]+ 212.09172 141.5
[M+K]+ 233.02106 143.0
[M-H]- 193.05062 138.4
[M+Na-2H]- 215.03257 141.5
[M]+ 194.05735 137.8
[M]- 194.05845 137.8
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.