CID 638765

84182-46-7

Structural Information

Molecular Formula
C13H14O5
SMILES
C1C(CC1(C(=O)O)C(=O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14O5/c14-11(15)13(12(16)17)6-10(7-13)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17)
InChIKey
LYRCCQROQBVCRV-UHFFFAOYSA-N
Compound name
3-phenylmethoxycyclobutane-1,1-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

250.08412 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 157.4
[M+Na]+ 273.07334 162.5
[M+NH4]+ 268.11794 160.6
[M+K]+ 289.04728 158.9
[M-H]- 249.07684 154.9
[M+Na-2H]- 271.05879 160.4
[M]+ 250.08357 156.0
[M]- 250.08467 156.0
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