CID 16683994

13170-05-3

Structural Information

Molecular Formula
C22H26AlO4
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)O[Al]OC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/2C11H14O2.Al/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2
InChIKey
KGABYSMRSQQFGL-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

381.16464 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17192 190.8
[M+Na]+ 404.15386 202.4
[M+NH4]+ 399.19846 196.4
[M+K]+ 420.12780 197.2
[M-H]- 380.15736 192.5
[M+Na-2H]- 402.13931 197.0
[M]+ 381.16409 193.0
[M]- 381.16519 193.0
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.