CID 138039899

3-(3-methoxyoxetan-3-yl)benzoic acid

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1(COC1)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C11H12O4/c1-14-11(6-15-7-11)9-4-2-3-8(5-9)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
KZSUCQKROYLDGL-UHFFFAOYSA-N
Compound name
3-(3-methoxyoxetan-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 139.9
[M+Na]+ 231.062778 145.9
[M-H]- 207.066284 146.1
[M+NH4]+ 226.107383 152.1
[M+K]+ 247.036718 149.0
[M+H-H2O]+ 191.070820 129.5
[M+HCOO]- 253.071761 159.7
[M+CH3COO]- 267.087411 185.1
[M+Na-2H]- 229.048226 146.5
[M]+ 208.07301142 150.1
[M]- 208.07410858 150.1
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.