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]+ 319.13875 170.3
[M+Na]+ 341.12069 174.2
[M-H]- 317.12419 168.3
[M+NH4]+ 336.16529 184.8
[M+K]+ 357.09463 175.4
[M+H-H2O]+ 301.12873 164.7
[M+HCOO]- 363.12967 187.2
[M+CH3COO]- 377.14532 202.4
[M+Na-2H]- 339.10614 169.7
[M]+ 318.13092 178.2
[M]- 318.13202 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.