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 288.4
[M+Na]+ 728.62338 292.5
[M-H]- 704.62688 269.1
[M+NH4]+ 723.66798 290.2
[M+K]+ 744.59732 297.2
[M+H-H2O]+ 688.63142 287.9
[M+HCOO]- 750.63236 290.8
[M+CH3COO]- 764.64801 285.7
[M+Na-2H]- 726.60883 268.5
[M]+ 705.63361 288.4
[M]- 705.63471 288.4
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

patents stripe