CID 140191660

Dtxsid201263849

Structural Information

Molecular Formula
C36H66AlO4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[Al]OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/2C18H34O2.Al/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;
InChIKey
DAQQTCNBZGZAAV-CVBJKYQLSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.47766 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.48494 257.2
[M+Na]+ 612.46688 263.8
[M-H]- 588.47038 242.5
[M+NH4]+ 607.51148 259.8
[M+K]+ 628.44082 264.3
[M+H-H2O]+ 572.47492 257.7
[M+HCOO]- 634.47586 264.3
[M+CH3COO]- 648.49151 261.5
[M+Na-2H]- 610.45233 241.6
[M]+ 589.47711 257.0
[M]- 589.47821 257.0
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

No patent data available for this compound.