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

40
Patents

162.0892 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09648 134.2
[M+Na]+ 185.07842 142.7
[M+NH4]+ 180.12302 140.5
[M+K]+ 201.05236 140.0
[M-H]- 161.08192 131.8
[M+Na-2H]- 183.06387 136.0
[M]+ 162.08865 134.3
[M]- 162.08975 134.3
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