CID 91753768

Fersobasmasjsg-uhfffaoysa-n

Structural Information

Molecular Formula
C15H28O4
SMILES
CC(C)C(=O)OC(C)C(C(C)(C)C)OC(=O)C(C)C
InChI
InChI=1S/C15H28O4/c1-9(2)13(16)18-11(5)12(15(6,7)8)19-14(17)10(3)4/h9-12H,1-8H3
InChIKey
FERSOBASMASJSG-UHFFFAOYSA-N
Compound name
[4,4-dimethyl-3-(2-methylpropanoyloxy)pentan-2-yl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.19876 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.206036 165.6
[M+Na]+ 295.187978 169.2
[M-H]- 271.191484 165.3
[M+NH4]+ 290.232583 182.1
[M+K]+ 311.161918 170.9
[M+H-H2O]+ 255.196020 160.9
[M+HCOO]- 317.196961 180.6
[M+CH3COO]- 331.212611 203.9
[M+Na-2H]- 293.173426 162.1
[M]+ 272.19821142 170.4
[M]- 272.19930858 170.4
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.