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 133.3
[M+Na]+ 217.04712 138.7
[M-H]- 193.05062 139.2
[M+NH4]+ 212.09172 143.9
[M+K]+ 233.02106 142.0
[M+H-H2O]+ 177.05516 121.9
[M+HCOO]- 239.05610 153.4
[M+CH3COO]- 253.07175 182.7
[M+Na-2H]- 215.03257 139.4
[M]+ 194.05735 142.8
[M]- 194.05845 142.8
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.