CID 145870

3,6,9,12,15,18,21,24,27,30-decaoxadotetracontan-1-ol

Structural Information

Molecular Formula
C32H66O11
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C32H66O11/c1-2-3-4-5-6-7-8-9-10-11-13-34-15-17-36-19-21-38-23-25-40-27-29-42-31-32-43-30-28-41-26-24-39-22-20-37-18-16-35-14-12-33/h33H,2-32H2,1H3
InChIKey
KOMQWDINDMFMPD-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

943
Patents

626.4605 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.46778 267.0
[M+Na]+ 649.44972 266.1
[M-H]- 625.45322 251.8
[M+NH4]+ 644.49432 268.0
[M+K]+ 665.42366 264.8
[M+H-H2O]+ 609.45776 266.5
[M+HCOO]- 671.45870 275.5
[M+CH3COO]- 685.47435 260.4
[M+Na-2H]- 647.43517 246.7
[M]+ 626.45995 267.8
[M]- 626.46105 267.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe