CID 19075830

2-hydroxy-3-methoxy-2-methyl-3-oxopropanoic acid

Structural Information

Molecular Formula
C5H8O5
SMILES
CC(C(=O)O)(C(=O)OC)O
InChI
InChI=1S/C5H8O5/c1-5(9,3(6)7)4(8)10-2/h9H,1-2H3,(H,6,7)
InChIKey
BAYPZOAENQTQBK-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxy-2-methyl-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

148.03717 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.044446 126.5
[M+Na]+ 171.026388 133.7
[M-H]- 147.029894 124.5
[M+NH4]+ 166.070993 146.3
[M+K]+ 187.000328 134.5
[M+H-H2O]+ 131.034430 122.9
[M+HCOO]- 193.035371 145.7
[M+CH3COO]- 207.051021 168.5
[M+Na-2H]- 169.011836 131.5
[M]+ 148.03662142 127.6
[M]- 148.03771858 127.6
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