CID 16699764

93859-35-9

Structural Information

Molecular Formula
C44H86AlO4
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[Al]OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/2C22H44O2.Al/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2
InChIKey
NMMFQTWYWUBNDN-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

705.63416 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 706.64144 286.7
[M+Na]+ 728.62338 286.5
[M+NH4]+ 723.66798 286.6
[M+K]+ 744.59732 287.8
[M-H]- 704.62688 267.0
[M+Na-2H]- 726.60883 282.2
[M]+ 705.63361 281.7
[M]- 705.63471 281.7
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.