CID 504289

[2-carboxyoxy-3-[4-(carboxyoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl] hydrogen carbonate

Structural Information

Molecular Formula
C12H18O11
SMILES
CC1(OCC(O1)(CC(COC(=O)O)OC(=O)O)COC(=O)O)C
InChI
InChI=1S/C12H18O11/c1-11(2)21-6-12(23-11,5-20-9(15)16)3-7(22-10(17)18)4-19-8(13)14/h7H,3-6H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)
InChIKey
SVVFGEHAFUXBGP-UHFFFAOYSA-N
Compound name
[1-carboxyoxy-3-[4-(carboxyoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl] hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.0849 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09218 166.0
[M+Na]+ 361.07412 170.1
[M-H]- 337.07762 166.3
[M+NH4]+ 356.11872 179.7
[M+K]+ 377.04806 174.6
[M+H-H2O]+ 321.08216 163.3
[M+HCOO]- 383.08310 179.7
[M+CH3COO]- 397.09875 198.2
[M+Na-2H]- 359.05957 168.9
[M]+ 338.08435 173.1
[M]- 338.08545 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.