CID 145913581

2377031-89-3

Structural Information

Molecular Formula
C14H22O8
SMILES
CC(C)(C)OC(=O)CCC(=O)OCCOC(=O)CCC(=O)O
InChI
InChI=1S/C14H22O8/c1-14(2,3)22-13(19)7-6-12(18)21-9-8-20-11(17)5-4-10(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKey
PLKOUXLYQXEFSJ-UHFFFAOYSA-N
Compound name
4-[2-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxyethoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13147 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.138746 170.3
[M+Na]+ 341.120688 174.2
[M-H]- 317.124194 168.3
[M+NH4]+ 336.165293 184.8
[M+K]+ 357.094628 175.4
[M+H-H2O]+ 301.128730 164.7
[M+HCOO]- 363.129671 187.2
[M+CH3COO]- 377.145321 202.4
[M+Na-2H]- 339.106136 169.7
[M]+ 318.13092142 178.2
[M]- 318.13201858 178.2
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.