CID 16684003

14049-51-5

Structural Information

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

2D Structure

compound 2d structure
1
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]+ 314.203226 180.6
[M+Na]+ 336.185168 183.4
[M-H]- 312.188674 178.9
[M+NH4]+ 331.229773 195.7
[M+K]+ 352.159108 181.9
[M+H-H2O]+ 296.193210 173.7
[M+HCOO]- 358.194151 200.1
[M+CH3COO]- 372.209801 206.6
[M+Na-2H]- 334.170616 179.3
[M]+ 313.19540142 189.0
[M]- 313.19649858 189.0
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.