CID 16684145

68900-75-4

Structural Information

Molecular Formula
C32H65Al
SMILES
CCCCCCCCCC/C=C/[Al](CCCCCCCCCC)CCCCCCCCCC
InChI
InChI=1S/C12H23.2C10H21.Al/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-3-5-7-9-10-8-6-4-2;/h1,3H,4-12H2,2H3;2*1,3-10H2,2H3;
InChIKey
ZKBVGYDDAFNYRL-UHFFFAOYSA-N
Compound name
didecyl-[(E)-dodec-1-enyl]alumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

476.49017 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.49745 239.9
[M+Na]+ 499.47939 236.1
[M-H]- 475.48289 234.9
[M+NH4]+ 494.52399 240.4
[M+K]+ 515.45333 228.5
[M+H-H2O]+ 459.48743 230.6
[M+HCOO]- 521.48837 251.4
[M+CH3COO]- 535.50402 247.0
[M+Na-2H]- 497.46484 231.2
[M]+ 476.48962 250.0
[M]- 476.49072 250.0
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