CID 3018662

Methyl 3,3-dimethoxy-2-methylpropanoate

Structural Information

Molecular Formula
C7H14O4
SMILES
CC(C(OC)OC)C(=O)OC
InChI
InChI=1S/C7H14O4/c1-5(6(8)9-2)7(10-3)11-4/h5,7H,1-4H3
InChIKey
CBFKVFFWFXUWDK-UHFFFAOYSA-N
Compound name
methyl 3,3-dimethoxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

162.0892 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.096476 134.2
[M+Na]+ 185.078418 140.6
[M-H]- 161.081924 134.6
[M+NH4]+ 180.123023 154.9
[M+K]+ 201.052358 142.9
[M+H-H2O]+ 145.086460 129.4
[M+HCOO]- 207.087401 155.9
[M+CH3COO]- 221.103051 179.2
[M+Na-2H]- 183.063866 137.1
[M]+ 162.08865142 139.0
[M]- 162.08974858 139.0
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

patents stripe