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]+ 219.122696 148.3
[M+Na]+ 241.104638 154.5
[M-H]- 217.108144 148.5
[M+NH4]+ 236.149243 167.0
[M+K]+ 257.078578 155.9
[M+H-H2O]+ 201.112680 143.5
[M+HCOO]- 263.113621 169.0
[M+CH3COO]- 277.129271 188.0
[M+Na-2H]- 239.090086 152.0
[M]+ 218.11487142 155.2
[M]- 218.11596858 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