CID 139595544

Ns00095189

Structural Information

Molecular Formula
C32H66O9
SMILES
CCCCCCCCCCCCOCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOCCOCCO
InChI
InChI=1S/C32H66O9/c1-6-7-8-9-10-11-12-13-14-15-17-37-25-29(2)39-27-31(4)41-28-32(5)40-26-30(3)38-24-23-36-22-21-35-20-19-34-18-16-33/h29-33H,6-28H2,1-5H3
InChIKey
JDSKIULPORANJG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.4707 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.477976 259.9
[M+Na]+ 617.459918 262.2
[M-H]- 593.463424 249.6
[M+NH4]+ 612.504523 265.8
[M+K]+ 633.433858 263.2
[M+H-H2O]+ 577.467960 261.4
[M+HCOO]- 639.468901 259.0
[M+CH3COO]- 653.484551 260.0
[M+Na-2H]- 615.445366 242.9
[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.