CID 368382

Nsc639331

Structural Information

Molecular Formula
C41H82O8
SMILES
CCCCCCCCCCCCCCCCOCC(COC1C(C(C(C(O1)CO)O)O)O)OCCCCCCCCCCCCCCCC
InChI
InChI=1S/C41H82O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-46-34-36(35-48-41-40(45)39(44)38(43)37(33-42)49-41)47-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-45H,3-35H2,1-2H3
InChIKey
UBBJOYSFMZPKBK-UHFFFAOYSA-N
Compound name
2-(2,3-dihexadecoxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

702.60095 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.60823 281.8
[M+Na]+ 725.59017 281.5
[M-H]- 701.59367 266.2
[M+NH4]+ 720.63477 277.1
[M+K]+ 741.56411 283.5
[M+H-H2O]+ 685.59821 280.0
[M+HCOO]- 747.59915 290.0
[M+CH3COO]- 761.61480 277.3
[M+Na-2H]- 723.57562 258.8
[M]+ 702.60040 278.7
[M]- 702.60150 278.7
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.