CID 3065842

Brn 0289008

Structural Information

Molecular Formula
C14H14O7
SMILES
C1OC(=O)C(O1)(CC(=O)O)CC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H14O7/c15-11(16)6-14(13(18)20-9-21-14)7-12(17)19-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChIKey
POUJCYXGUCIQJP-UHFFFAOYSA-N
Compound name
2-[5-oxo-4-(2-oxo-2-phenylmethoxyethyl)-1,3-dioxolan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07394 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08122 162.2
[M+Na]+ 317.06316 168.0
[M-H]- 293.06666 168.7
[M+NH4]+ 312.10776 177.1
[M+K]+ 333.03710 169.2
[M+H-H2O]+ 277.07120 156.6
[M+HCOO]- 339.07214 181.1
[M+CH3COO]- 353.08779 194.6
[M+Na-2H]- 315.04861 166.0
[M]+ 294.07339 166.1
[M]- 294.07449 166.1
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

No patent data available for this compound.