CID 66647

Methyl dimethoxyacetate

Structural Information

Molecular Formula
C5H10O4
SMILES
COC(C(=O)OC)OC
InChI
InChI=1S/C5H10O4/c1-7-4(6)5(8-2)9-3/h5H,1-3H3
InChIKey
NZTCVGHPDWAALP-UHFFFAOYSA-N
Compound name
methyl 2,2-dimethoxyacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

725
Patents

134.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06518 124.7
[M+Na]+ 157.04712 132.2
[M-H]- 133.05062 125.3
[M+NH4]+ 152.09172 146.6
[M+K]+ 173.02106 134.5
[M+H-H2O]+ 117.05516 120.1
[M+HCOO]- 179.05610 148.0
[M+CH3COO]- 193.07175 172.2
[M+Na-2H]- 155.03257 129.9
[M]+ 134.05735 129.4
[M]- 134.05845 129.4
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