CID 54595579

Methyl 2-hydroxy-3-methoxy-2-methylpropanoate

Structural Information

Molecular Formula
C6H12O4
SMILES
CC(COC)(C(=O)OC)O
InChI
InChI=1S/C6H12O4/c1-6(8,4-9-2)5(7)10-3/h8H,4H2,1-3H3
InChIKey
VOTPXWASQHYOEG-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-3-methoxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.07356 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 129.9
[M+Na]+ 171.06278 138.4
[M+NH4]+ 166.10738 136.0
[M+K]+ 187.03672 135.9
[M-H]- 147.06628 126.8
[M+Na-2H]- 169.04823 132.0
[M]+ 148.07301 129.9
[M]- 148.07411 129.9
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