CID 11217278

2,3-dimethoxypropanoic acid

Structural Information

Molecular Formula
C5H10O4
SMILES
COCC(C(=O)O)OC
InChI
InChI=1S/C5H10O4/c1-8-3-4(9-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey
IVAUAKVFUIMSEI-UHFFFAOYSA-N
Compound name
2,3-dimethoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

134.0579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06518 125.8
[M+Na]+ 157.04712 134.5
[M+NH4]+ 152.09172 132.2
[M+K]+ 173.02106 131.8
[M-H]- 133.05062 123.2
[M+Na-2H]- 155.03257 127.9
[M]+ 134.05735 125.9
[M]- 134.05845 125.9
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