CID 16684142

Dibutyl-cis-3-octenyloxyaluminum

Structural Information

Molecular Formula
C16H33AlO
SMILES
CCCC/C=C\CCO[Al](CCCC)CCCC
InChI
InChI=1S/C8H15O.2C4H9.Al/c1-2-3-4-5-6-7-8-9;2*1-3-4-2;/h5-6H,2-4,7-8H2,1H3;2*1,3-4H2,2H3;/q-1;;;+1/b6-5-;;;
InChIKey
KXNLGIZQFVRAQK-WTUPQPTJSA-N
Compound name
dibutyl-[(Z)-oct-3-enoxy]alumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.23468 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.24196 173.1
[M+Na]+ 291.22390 175.9
[M-H]- 267.22740 171.4
[M+NH4]+ 286.26850 190.4
[M+K]+ 307.19784 173.1
[M+H-H2O]+ 251.23194 166.7
[M+HCOO]- 313.23288 192.7
[M+CH3COO]- 327.24853 201.8
[M+Na-2H]- 289.20935 172.9
[M]+ 268.23413 178.6
[M]- 268.23523 178.6
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.