CID 16684141

Einecs 272-602-3

Structural Information

Molecular Formula
C16H33AlO
SMILES
CC(C)C/C=C\CCO[Al](CC(C)C)CC(C)C
InChI
InChI=1S/C8H15O.2C4H9.Al/c1-8(2)6-4-3-5-7-9;2*1-4(2)3;/h3-4,8H,5-7H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1/b4-3-;;;
InChIKey
VEPXDOWYZYVTMC-FGSKAQBVSA-N
Compound name
[(Z)-6-methylhept-3-enoxy]-bis(2-methylpropyl)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 173.8
[M+Na]+ 291.22390 176.0
[M-H]- 267.22740 172.4
[M+NH4]+ 286.26850 190.9
[M+K]+ 307.19784 174.6
[M+H-H2O]+ 251.23194 167.8
[M+HCOO]- 313.23288 190.4
[M+CH3COO]- 327.24853 204.2
[M+Na-2H]- 289.20935 169.8
[M]+ 268.23413 177.3
[M]- 268.23523 177.3
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

No patent data available for this compound.