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

84
Patents

134.0579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.065176 125.5
[M+Na]+ 157.047118 132.4
[M-H]- 133.050624 124.6
[M+NH4]+ 152.091723 146.5
[M+K]+ 173.021058 133.8
[M+H-H2O]+ 117.055160 121.0
[M+HCOO]- 179.056101 147.3
[M+CH3COO]- 193.071751 170.2
[M+Na-2H]- 155.032566 130.1
[M]+ 134.05735142 128.3
[M]- 134.05844858 128.3
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