CID 116123

1,3-di(methylisobutylcarbinyl)-2-hydroxyethyl glycerol triether

Structural Information

Molecular Formula
C17H36O4
SMILES
CC(C)CC(C)OCC(COC(C)CC(C)C)OCCO
InChI
InChI=1S/C17H36O4/c1-13(2)9-15(5)20-11-17(19-8-7-18)12-21-16(6)10-14(3)4/h13-18H,7-12H2,1-6H3
InChIKey
XBFZETIMLDPCII-UHFFFAOYSA-N
Compound name
2-[1,3-bis(4-methylpentan-2-yloxy)propan-2-yloxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.26135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.268626 183.3
[M+Na]+ 327.250568 184.4
[M-H]- 303.254074 180.4
[M+NH4]+ 322.295173 197.4
[M+K]+ 343.224508 184.8
[M+H-H2O]+ 287.258610 176.9
[M+HCOO]- 349.259551 197.9
[M+CH3COO]- 363.275201 209.6
[M+Na-2H]- 325.236016 177.7
[M]+ 304.26080142 189.4
[M]- 304.26189858 189.4
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.