CID 16684039

20259-40-9

Structural Information

Molecular Formula
C14H29Al
SMILES
CCCC/C=C/[Al](CC(C)C)CC(C)C
InChI
InChI=1S/C6H11.2C4H9.Al/c1-3-5-6-4-2;2*1-4(2)3;/h1,3H,4-6H2,2H3;2*4H,1H2,2-3H3;
InChIKey
AQVXMEQFGRWGIN-UHFFFAOYSA-N
Compound name
[(E)-hex-1-enyl]-bis(2-methylpropyl)alumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

224.20847 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.21575 161.1
[M+Na]+ 247.19769 164.3
[M-H]- 223.20119 160.1
[M+NH4]+ 242.24229 180.1
[M+K]+ 263.17163 162.6
[M+H-H2O]+ 207.20573 155.5
[M+HCOO]- 269.20667 179.1
[M+CH3COO]- 283.22232 195.6
[M+Na-2H]- 245.18314 159.5
[M]+ 224.20792 163.1
[M]- 224.20902 163.1
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