CID 116123

63991-74-2

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]+ 305.26863 183.3
[M+Na]+ 327.25057 184.4
[M-H]- 303.25407 180.4
[M+NH4]+ 322.29517 197.4
[M+K]+ 343.22451 184.8
[M+H-H2O]+ 287.25861 176.9
[M+HCOO]- 349.25955 197.9
[M+CH3COO]- 363.27520 209.6
[M+Na-2H]- 325.23602 177.7
[M]+ 304.26080 189.4
[M]- 304.26190 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.