CID 137951885

4-(3-methoxyoxetan-3-yl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.07356 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 139.9
[M+Na]+ 231.06278 145.9
[M-H]- 207.06628 146.1
[M+NH4]+ 226.10738 152.1
[M+K]+ 247.03672 149.0
[M+H-H2O]+ 191.07082 129.5
[M+HCOO]- 253.07176 159.7
[M+CH3COO]- 267.08741 185.1
[M+Na-2H]- 229.04823 146.5
[M]+ 208.07301 150.1
[M]- 208.07411 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

patents stripe