CID 21116186

Dtxsid70888857

Structural Information

Molecular Formula
C15H30O5
SMILES
CC(C)(CO)COCC(C)(C)COC(=O)C(C)(C)CO
InChI
InChI=1S/C15H30O5/c1-13(2,7-16)9-19-10-14(3,4)11-20-12(18)15(5,6)8-17/h16-17H,7-11H2,1-6H3
InChIKey
XHOPMGIFBYBADV-UHFFFAOYSA-N
Compound name
[3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl] 3-hydroxy-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.20932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.216596 171.7
[M+Na]+ 313.198538 175.5
[M-H]- 289.202044 168.5
[M+NH4]+ 308.243143 186.2
[M+K]+ 329.172478 175.1
[M+H-H2O]+ 273.206580 167.6
[M+HCOO]- 335.207521 185.3
[M+CH3COO]- 349.223171 199.7
[M+Na-2H]- 311.183986 175.3
[M]+ 290.20877142 177.0
[M]- 290.20986858 177.0
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.