CID 16689418

79172-99-9

Structural Information

Molecular Formula
C21H45AlO3
SMILES
CCC(CC)(CC)O[Al-](OC(CC)(CC)CC)OC(CC)(CC)CC
InChI
InChI=1S/3C7H15O.Al/c3*1-4-7(8,5-2)6-3;/h3*4-6H2,1-3H3;/q3*-1;+2
InChIKey
UGZINEVMADDSSY-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.31842 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.32570 211.2
[M+Na]+ 395.30764 215.2
[M+NH4]+ 390.35224 218.2
[M+K]+ 411.28158 221.6
[M-H]- 371.31114 205.5
[M+Na-2H]- 393.29309 205.9
[M]+ 372.31787 211.7
[M]- 372.31897 211.7
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.