CID 16682951

Trihexylalumane

Structural Information

Molecular Formula
C18H39Al
SMILES
CCCCCC[Al](CCCCCC)CCCCCC
InChI
InChI=1S/3C6H13.Al/c3*1-3-5-6-4-2;/h3*1,3-6H2,2H3;
InChIKey
ORYGRKHDLWYTKX-UHFFFAOYSA-N
Compound name
trihexylalumane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

36649
Patents

282.2867 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.293976 180.4
[M+Na]+ 305.275918 182.0
[M-H]- 281.279424 178.3
[M+NH4]+ 300.320523 197.2
[M+K]+ 321.249858 178.8
[M+H-H2O]+ 265.283960 173.7
[M+HCOO]- 327.284901 198.8
[M+CH3COO]- 341.300551 207.5
[M+Na-2H]- 303.261366 179.1
[M]+ 282.28615142 186.0
[M]- 282.28724858 186.0
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