CID 139595924

Ns00095228

Structural Information

Molecular Formula
C27H56O6
SMILES
CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCCOCCO
InChI
InChI=1S/C27H56O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-30-22-25(2)32-24-27(4)33-23-26(3)31-21-20-29-19-17-28/h25-28H,5-24H2,1-4H3
InChIKey
LLOACLINJVADCM-UHFFFAOYSA-N
Compound name
2-[2-[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.40768 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.414956 232.5
[M+Na]+ 499.396898 236.8
[M-H]- 475.400404 220.7
[M+NH4]+ 494.441503 234.7
[M+K]+ 515.370838 235.5
[M+H-H2O]+ 459.404940 233.7
[M+HCOO]- 521.405881 236.1
[M+CH3COO]- 535.421531 240.3
[M+Na-2H]- 497.382346 218.5
[M]+ 476.40713142 232.9
[M]- 476.40822858 232.9
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.