CID 90684540

Einecs 269-683-2

Structural Information

Molecular Formula
C6H9AlO3
SMILES
CCO/C(=C/C(=O)C)/O[Al]
InChI
InChI=1S/C6H10O3.Al/c1-3-9-6(8)4-5(2)7;/h4,8H,3H2,1-2H3;/q;+1/p-1/b6-4+;
InChIKey
QKSTVVCQFIHXAV-CVDVRWGVSA-M
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

156.03671 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04399 131.6
[M+Na]+ 179.02593 141.0
[M+NH4]+ 174.07053 138.3
[M+K]+ 194.99987 136.8
[M-H]- 155.02943 129.7
[M+Na-2H]- 177.01138 134.1
[M]+ 156.03616 132.0
[M]- 156.03726 132.0
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.