CID 16682961

Aluminum, trieicosyl-

Structural Information

Molecular Formula
C60H123Al
SMILES
CCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/3C20H41.Al/c3*1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;/h3*1,3-20H2,2H3;
InChIKey
FNZVPOPUGCLHJA-UHFFFAOYSA-N
Compound name
tri(icosyl)alumane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

101
Patents

870.94403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 871.95131 336.4
[M+Na]+ 893.93325 338.0
[M-H]- 869.93675 305.3
[M+NH4]+ 888.97785 332.6
[M+K]+ 909.90719 350.0
[M+H-H2O]+ 853.94129 332.7
[M+HCOO]- 915.94223 333.6
[M+CH3COO]- 929.95788 323.0
[M+Na-2H]- 891.91870 309.9
[M]+ 870.94348 336.1
[M]- 870.94458 336.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe