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]+ 295.081216 162.2
[M+Na]+ 317.063158 168.0
[M-H]- 293.066664 168.7
[M+NH4]+ 312.107763 177.1
[M+K]+ 333.037098 169.2
[M+H-H2O]+ 277.071200 156.6
[M+HCOO]- 339.072141 181.1
[M+CH3COO]- 353.087791 194.6
[M+Na-2H]- 315.048606 166.0
[M]+ 294.07339142 166.1
[M]- 294.07448858 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.