CID 155858508

2580206-12-6

Structural Information

Molecular Formula
C11H12O4
SMILES
C1C(CO1)(C2=CC=CC=C2)OCC(=O)O
InChI
InChI=1S/C11H12O4/c12-10(13)6-15-11(7-14-8-11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey
RHGHCRIBVMHYEV-UHFFFAOYSA-N
Compound name
2-(3-phenyloxetan-3-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 143.0
[M+Na]+ 231.06278 149.9
[M+NH4]+ 226.10738 147.8
[M+K]+ 247.03672 145.5
[M-H]- 207.06628 143.4
[M+Na-2H]- 229.04823 148.0
[M]+ 208.07301 142.9
[M]- 208.07411 142.9
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.