CID 53435925

143747-72-2

Structural Information

Molecular Formula
C41H84O7
SMILES
CCCCCCCCCCCCCCCCOCC(COC(COCCCCCCCCCCCCCCCC)COCC(CO)O)O
InChI
InChI=1S/C41H84O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45-35-40(44)36-48-41(38-47-34-39(43)33-42)37-46-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-44H,3-38H2,1-2H3
InChIKey
FKFHBBZKFODURE-UHFFFAOYSA-N
Compound name
3-[3-hexadecoxy-2-(3-hexadecoxy-2-hydroxypropoxy)propoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

688.6217 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.62898 282.7
[M+Na]+ 711.61092 281.2
[M+NH4]+ 706.65552 283.0
[M+K]+ 727.58486 282.7
[M-H]- 687.61442 266.2
[M+Na-2H]- 709.59637 278.8
[M]+ 688.62115 278.1
[M]- 688.62225 278.1
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.