CID 71333348

9,10-dimethoxy-2,19,22,25,28,31,34-heptaoxahexatriacontan-36-ol

Structural Information

Molecular Formula
C31H64O10
SMILES
COCCCCCCC(C(CCCCCCCCOCCOCCOCCOCCOCCOCCO)OC)OC
InChI
InChI=1S/C31H64O10/c1-33-17-12-9-7-11-15-31(35-3)30(34-2)14-10-6-4-5-8-13-18-36-20-22-38-24-26-40-28-29-41-27-25-39-23-21-37-19-16-32/h30-32H,4-29H2,1-3H3
InChIKey
IQCNZJLODFOODE-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.44995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.45723 260.2
[M+Na]+ 619.43917 261.1
[M-H]- 595.44267 247.8
[M+NH4]+ 614.48377 263.7
[M+K]+ 635.41311 260.5
[M+H-H2O]+ 579.44721 260.8
[M+HCOO]- 641.44815 264.4
[M+CH3COO]- 655.46380 257.5
[M+Na-2H]- 617.42462 241.9
[M]+ 596.44940 261.1
[M]- 596.45050 261.1
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.