CID 132849738

2-{4-[2-(tert-butoxy)-2-oxoethyl]-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl}acetic acid

Structural Information

Molecular Formula
C13H20O7
SMILES
CC1(OC(=O)C(O1)(CC(=O)O)CC(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H20O7/c1-11(2,3)18-9(16)7-13(6-8(14)15)10(17)19-12(4,5)20-13/h6-7H2,1-5H3,(H,14,15)
InChIKey
OHCLGQGGOHXUOC-UHFFFAOYSA-N
Compound name
2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1209 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12818 156.8
[M+Na]+ 311.11012 164.0
[M-H]- 287.11362 160.5
[M+NH4]+ 306.15472 175.1
[M+K]+ 327.08406 166.7
[M+H-H2O]+ 271.11816 155.3
[M+HCOO]- 333.11910 173.0
[M+CH3COO]- 347.13475 196.6
[M+Na-2H]- 309.09557 162.3
[M]+ 288.12035 163.4
[M]- 288.12145 163.4
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.