CID 57509106

Schembl8767475

Structural Information

Molecular Formula
C5H12AlClO
SMILES
CCCO[Al](CC)Cl
InChI
InChI=1S/C3H7O.C2H5.Al.ClH/c1-2-3-4;1-2;;/h2-3H2,1H3;1H2,2H3;;1H/q-1;;+2;/p-1
InChIKey
OZDCXCTXEUFFEV-UHFFFAOYSA-M
Compound name
chloro-ethyl-propoxyalumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

150.0392 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.046476 128.8
[M+Na]+ 173.028418 136.6
[M-H]- 149.031924 129.0
[M+NH4]+ 168.073023 151.7
[M+K]+ 189.002358 135.1
[M+H-H2O]+ 133.036460 125.4
[M+HCOO]- 195.037401 147.3
[M+CH3COO]- 209.053051 174.1
[M+Na-2H]- 171.013866 134.2
[M]+ 150.03865142 132.7
[M]- 150.03974858 132.7
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