CID 16205612

85391-95-3

Structural Information

Molecular Formula
C14H26O5
SMILES
CC(C)C(=O)OCC(C)(C)COC(=O)C(C)(C)CO
InChI
InChI=1S/C14H26O5/c1-10(2)11(16)18-8-13(3,4)9-19-12(17)14(5,6)7-15/h10,15H,7-9H2,1-6H3
InChIKey
YOGYDRXODPAZFW-UHFFFAOYSA-N
Compound name
[2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] 3-hydroxy-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.178 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.185276 165.0
[M+Na]+ 297.167218 169.3
[M-H]- 273.170724 163.4
[M+NH4]+ 292.211823 180.7
[M+K]+ 313.141158 169.9
[M+H-H2O]+ 257.175260 160.6
[M+HCOO]- 319.176201 180.4
[M+CH3COO]- 333.191851 198.7
[M+Na-2H]- 295.152666 166.2
[M]+ 274.17745142 170.3
[M]- 274.17854858 170.3
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.