CID 16683971

Aluminum, tridocosyl-

Structural Information

Molecular Formula
C66H135Al
SMILES
CCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/3C22H45.Al/c3*1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-22H2,2H3;
InChIKey
HRVAYBZZZHAVCT-UHFFFAOYSA-N
Compound name
tri(docosyl)alumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

955.0379 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 956.04518 353.2
[M+Na]+ 978.02712 354.0
[M-H]- 954.03062 320.1
[M+NH4]+ 973.07172 349.6
[M+K]+ 994.00106 368.3
[M+H-H2O]+ 938.03516 349.1
[M+HCOO]- 1000.0361 348.5
[M+CH3COO]- 1014.0518 337.4
[M+Na-2H]- 976.01257 324.8
[M]+ 955.03735 353.3
[M]- 955.03845 353.3
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

patents stripe