CID 318276

37031-30-4

Structural Information

Molecular Formula

C₉H₁₄O₆

SMILES

CC1(OC(C(O1)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3

InChIKey

ROZOUYVVWUTPNG-UHFFFAOYSA-N

Compound name

dimethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 218.07904 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.08632	141.8
[M+Na]+	241.06826	149.8
[M-H]-	217.07176	147.0
[M+NH4]+	236.11286	161.6
[M+K]+	257.04220	153.3
[M+H-H2O]+	201.07630	138.4
[M+HCOO]-	263.07724	162.0
[M+CH3COO]-	277.09289	185.4
[M+Na-2H]-	239.05371	146.2
[M]+	218.07849	147.9
[M]-	218.07959	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe