CID 21116186

112484-43-2

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]+ 291.21660 171.7
[M+Na]+ 313.19854 175.5
[M-H]- 289.20204 168.5
[M+NH4]+ 308.24314 186.2
[M+K]+ 329.17248 175.1
[M+H-H2O]+ 273.20658 167.6
[M+HCOO]- 335.20752 185.3
[M+CH3COO]- 349.22317 199.7
[M+Na-2H]- 311.18399 175.3
[M]+ 290.20877 177.0
[M]- 290.20987 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.