CID 116180

1,2,3-propanetriol, 1,3-bis(3-pentyl)-2-propyl triether

Structural Information

Molecular Formula
C16H34O3
SMILES
CCCOC(COC(CC)CC)COC(CC)CC
InChI
InChI=1S/C16H34O3/c1-6-11-17-16(12-18-14(7-2)8-3)13-19-15(9-4)10-5/h14-16H,6-13H2,1-5H3
InChIKey
ROMXPRAUBHSPAN-UHFFFAOYSA-N
Compound name
3-(3-pentan-3-yloxy-2-propoxypropoxy)pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2508 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.25808 171.5
[M+Na]+ 297.24002 178.6
[M+NH4]+ 292.28462 177.1
[M+K]+ 313.21396 173.3
[M-H]- 273.24352 169.5
[M+Na-2H]- 295.22547 171.6
[M]+ 274.25025 171.6
[M]- 274.25135 171.6
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.