CID 16684104

Aluminum, tris(triacontyl)-

Structural Information

Molecular Formula
C90H183Al
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/3C30H61.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-30H2,2H3;
InChIKey
OTCQQXOJHPHEEX-UHFFFAOYSA-N
Compound name
tri(triacontyl)alumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

1291.4136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1292.4209 411.6
[M+Na]+ 1314.4028 409.0
[M-H]- 1290.4063 370.9
[M+NH4]+ 1309.4474 408.9
[M+K]+ 1330.3768 432.5
[M+H-H2O]+ 1274.4109 406.2
[M+HCOO]- 1336.4118 400.2
[M+CH3COO]- 1350.4275 387.6
[M+Na-2H]- 1312.3883 376.8
[M]+ 1291.4131 415.1
[M]- 1291.4141 415.1
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