CID 16684139

Aluminum, ((3z)-3-dodecen-1-olato)dioctyl-

Structural Information

Molecular Formula
C28H57AlO
SMILES
CCCCCCCC/C=C\CCO[Al](CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C12H23O.2C8H17.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-5-7-8-6-4-2;/h9-10H,2-8,11-12H2,1H3;2*1,3-8H2,2H3;/q-1;;;+1/b10-9-;;;
InChIKey
MNELTTSETFEIHR-BZKIHGKGSA-N
Compound name
[(Z)-dodec-3-enoxy]-dioctylalumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.4225 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.42978 226.2
[M+Na]+ 459.41172 224.0
[M-H]- 435.41522 222.0
[M+NH4]+ 454.45632 228.5
[M+K]+ 475.38566 218.0
[M+H-H2O]+ 419.41976 217.4
[M+HCOO]- 481.42070 240.2
[M+CH3COO]- 495.43635 237.1
[M+Na-2H]- 457.39717 219.6
[M]+ 436.42195 236.2
[M]- 436.42305 236.2
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.