CID 16684021

67892-51-7

Structural Information

Molecular Formula
C15H25AlO7
SMILES
CCOC(=O)C=C(C)O[Al](OC(C)C)OC(=CC(=O)OCC)C
InChI
InChI=1S/2C6H10O3.C3H7O.Al/c2*1-3-9-6(8)4-5(2)7;1-3(2)4;/h2*4,7H,3H2,1-2H3;3H,1-2H3;/q;;-1;+3/p-2
InChIKey
UNYLUPUUYJVCNE-UHFFFAOYSA-L
Compound name
ethyl 3-[(4-ethoxy-4-oxobut-2-en-2-yl)oxy-propan-2-yloxyalumanyl]oxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14157 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14885 179.4
[M+Na]+ 367.13079 182.3
[M-H]- 343.13429 178.3
[M+NH4]+ 362.17539 200.1
[M+K]+ 383.10473 183.8
[M+H-H2O]+ 327.13883 173.0
[M+HCOO]- 389.13977 194.5
[M+CH3COO]- 403.15542 210.2
[M+Na-2H]- 365.11624 174.5
[M]+ 344.14102 187.8
[M]- 344.14212 187.8
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.