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]+ 209.080836 140.1
[M+Na]+ 231.062778 145.2
[M-H]- 207.066284 145.9
[M+NH4]+ 226.107383 151.9
[M+K]+ 247.036718 148.3
[M+H-H2O]+ 191.070820 129.4
[M+HCOO]- 253.071761 159.9
[M+CH3COO]- 267.087411 184.0
[M+Na-2H]- 229.048226 147.3
[M]+ 208.07301142 149.9
[M]- 208.07410858 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.