CID 139597839

Ns00095247

Structural Information

Molecular Formula
C32H66O9
SMILES
CCCCCCCCCCCCCCOCC(C)OCC(C)OCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C32H66O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-39-29-31(2)41-30-32(3)40-28-27-38-26-25-37-24-23-36-22-21-35-20-19-34-18-16-33/h31-33H,4-30H2,1-3H3
InChIKey
XKMOZYKJKLKARI-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.4707 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.477976 260.2
[M+Na]+ 617.459918 261.5
[M-H]- 593.463424 246.8
[M+NH4]+ 612.504523 262.9
[M+K]+ 633.433858 261.4
[M+H-H2O]+ 577.467960 260.6
[M+HCOO]- 639.468901 264.0
[M+CH3COO]- 653.484551 258.5
[M+Na-2H]- 615.445366 241.9
[M]+ 594.47015142 260.8
[M]- 594.47124858 260.8
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.