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 140.1
[M+Na]+ 231.06278 145.2
[M-H]- 207.06628 145.9
[M+NH4]+ 226.10738 151.9
[M+K]+ 247.03672 148.3
[M+H-H2O]+ 191.07082 129.4
[M+HCOO]- 253.07176 159.9
[M+CH3COO]- 267.08741 184.0
[M+Na-2H]- 229.04823 147.3
[M]+ 208.07301 149.9
[M]- 208.07411 149.9
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.