CID 16205602

2-butoxy-2-oxoethyl hydroxyacetate

Structural Information

Molecular Formula
C8H14O5
SMILES
CCCCOC(=O)COC(=O)CO
InChI
InChI=1S/C8H14O5/c1-2-3-4-12-8(11)6-13-7(10)5-9/h9H,2-6H2,1H3
InChIKey
UULVLXVIYGPTBD-UHFFFAOYSA-N
Compound name
(2-butoxy-2-oxoethyl) 2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08412 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.091396 140.8
[M+Na]+ 213.073338 146.8
[M-H]- 189.076844 139.4
[M+NH4]+ 208.117943 159.6
[M+K]+ 229.047278 147.3
[M+H-H2O]+ 173.081380 135.6
[M+HCOO]- 235.082321 162.1
[M+CH3COO]- 249.097971 179.1
[M+Na-2H]- 211.058786 143.9
[M]+ 190.08357142 145.3
[M]- 190.08466858 145.3
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

No patent data available for this compound.