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 201.9
[M+Na]+ 395.30764 203.3
[M-H]- 371.31114 189.9
[M+NH4]+ 390.35224 201.6
[M+K]+ 411.28158 202.2
[M+H-H2O]+ 355.31568 198.7
[M+HCOO]- 417.31662 211.5
[M+CH3COO]- 431.33227 220.4
[M+Na-2H]- 393.29309 201.7
[M]+ 372.31787 203.3
[M]- 372.31897 203.3
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.