CID 53859470

1,3-diethyl 2-(methoxymethyl)-2-methylpropanedioate

Structural Information

Molecular Formula
C10H18O5
SMILES
CCOC(=O)C(C)(COC)C(=O)OCC
InChI
InChI=1S/C10H18O5/c1-5-14-8(11)10(3,7-13-4)9(12)15-6-2/h5-7H2,1-4H3
InChIKey
GVLURZHLOJMFIB-UHFFFAOYSA-N
Compound name
diethyl 2-(methoxymethyl)-2-methylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.11542 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12270 148.3
[M+Na]+ 241.10464 154.5
[M-H]- 217.10814 148.5
[M+NH4]+ 236.14924 167.0
[M+K]+ 257.07858 155.9
[M+H-H2O]+ 201.11268 143.5
[M+HCOO]- 263.11362 169.0
[M+CH3COO]- 277.12927 188.0
[M+Na-2H]- 239.09009 152.0
[M]+ 218.11487 155.2
[M]- 218.11597 155.2
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

patents stripe