CID 16684074

Cid 16684073

Structural Information

Molecular Formula
C28H54AlO4
SMILES
CCCCCCCCCCCCCC(=O)O[Al]OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/2C14H28O2.Al/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);/q;;+2/p-2
InChIKey
BYCYVQGHIOGDNG-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

481.38376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.391036 233.3
[M+Na]+ 504.372978 240.2
[M-H]- 480.376484 220.1
[M+NH4]+ 499.417583 235.5
[M+K]+ 520.346918 238.3
[M+H-H2O]+ 464.381020 224.6
[M+HCOO]- 526.381961 241.9
[M+CH3COO]- 540.397611 241.5
[M+Na-2H]- 502.358426 220.3
[M]+ 481.38321142 234.1
[M]- 481.38430858 234.1
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.