CID 139596605

Ns00095218

Structural Information

Molecular Formula
C32H66O9
SMILES
CCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCCOCCOCCOCCOCCO
InChI
InChI=1S/C32H66O9/c1-5-6-7-8-9-10-11-12-13-14-15-17-38-27-30(2)40-29-32(4)41-28-31(3)39-26-25-37-24-23-36-22-21-35-20-19-34-18-16-33/h30-33H,5-29H2,1-4H3
InChIKey
PKMQPHTUZWXZIF-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.4707 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.477976 260.1
[M+Na]+ 617.459918 261.9
[M-H]- 593.463424 248.3
[M+NH4]+ 612.504523 264.4
[M+K]+ 633.433858 262.3
[M+H-H2O]+ 577.467960 261.1
[M+HCOO]- 639.468901 261.6
[M+CH3COO]- 653.484551 259.3
[M+Na-2H]- 615.445366 242.4
[M]+ 594.47015142 260.9
[M]- 594.47124858 260.9
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.