CID 16684287

38598-34-4

Structural Information

Molecular Formula
C20H34AlO4
SMILES
C1CCC(CC1)CCCC(=O)O[Al]OC(=O)CCCC2CCCCC2
InChI
InChI=1S/2C10H18O2.Al/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
InChIKey
SHRRQIIZRSZOBZ-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

365.22723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.23451 192.6
[M+Na]+ 388.21645 189.7
[M-H]- 364.21995 195.2
[M+NH4]+ 383.26105 204.1
[M+K]+ 404.19039 187.5
[M+H-H2O]+ 348.22449 183.6
[M+HCOO]- 410.22543 205.0
[M+CH3COO]- 424.24108 212.0
[M+Na-2H]- 386.20190 188.5
[M]+ 365.22668 188.4
[M]- 365.22778 188.4
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.