CID 16684285

30745-55-2

Structural Information

Molecular Formula
C16H30AlO4
SMILES
CCCCC(CC)C(=O)O[Al]OC(=O)C(CC)CCCC
InChI
InChI=1S/2C8H16O2.Al/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKey
AGKNJVUDCVNJSY-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

313.19595 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.20323 180.9
[M+Na]+ 336.18517 183.4
[M-H]- 312.18867 179.5
[M+NH4]+ 331.22977 196.0
[M+K]+ 352.15911 183.0
[M+H-H2O]+ 296.19321 174.4
[M+HCOO]- 358.19415 198.5
[M+CH3COO]- 372.20980 208.3
[M+Na-2H]- 334.17062 177.2
[M]+ 313.19540 188.1
[M]- 313.19650 188.1
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

patents stripe