CID 14860743

Methyl 3,3,3-trimethoxypropionate

Structural Information

Molecular Formula
C7H14O5
SMILES
COC(=O)CC(OC)(OC)OC
InChI
InChI=1S/C7H14O5/c1-9-6(8)5-7(10-2,11-3)12-4/h5H2,1-4H3
InChIKey
VSDRPRFMFHTAAU-UHFFFAOYSA-N
Compound name
methyl 3,3,3-trimethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

178.08412 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09140 136.0
[M+Na]+ 201.07334 143.3
[M-H]- 177.07684 136.5
[M+NH4]+ 196.11794 156.3
[M+K]+ 217.04728 145.5
[M+H-H2O]+ 161.08138 131.5
[M+HCOO]- 223.08232 158.4
[M+CH3COO]- 237.09797 179.8
[M+Na-2H]- 199.05879 142.4
[M]+ 178.08357 143.2
[M]- 178.08467 143.2
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