CID 16684143

Aluminum, ((3z)-3-hepten-1-olato)dipropyl-

Structural Information

Molecular Formula
C13H27AlO
SMILES
CCC/C=C\CCO[Al](CCC)CCC
InChI
InChI=1S/C7H13O.2C3H7.Al/c1-2-3-4-5-6-7-8;2*1-3-2;/h4-5H,2-3,6-7H2,1H3;2*1,3H2,2H3;/q-1;;;+1/b5-4-;;;
InChIKey
DJOIUHFBEYDHAN-OAWHIZORSA-N
Compound name
[(Z)-hept-3-enoxy]-dipropylalumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.18773 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.19501 159.4
[M+Na]+ 249.17695 163.4
[M-H]- 225.18045 158.3
[M+NH4]+ 244.22155 178.4
[M+K]+ 265.15089 161.5
[M+H-H2O]+ 209.18499 153.6
[M+HCOO]- 271.18593 180.0
[M+CH3COO]- 285.20158 192.8
[M+Na-2H]- 247.16240 160.8
[M]+ 226.18718 163.8
[M]- 226.18828 163.8
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.