CID 71310798

77299-63-9

Structural Information

Molecular Formula
C12H27AlO
SMILES
CC(C)C[Al-](CC(C)C)OC(C)(C)C
InChI
InChI=1S/C4H9O.2C4H9.Al/c1-4(2,3)5;2*1-4(2)3;/h1-3H3;2*4H,1H2,2-3H3;/q-1;;;
InChIKey
HBGVHWWFVCAMRX-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.18773 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.19501 155.4
[M+Na]+ 237.17695 159.5
[M-H]- 213.18045 153.4
[M+NH4]+ 232.22155 174.5
[M+K]+ 253.15089 159.6
[M+H-H2O]+ 197.18499 153.2
[M+HCOO]- 259.18593 172.1
[M+CH3COO]- 273.20158 189.7
[M+Na-2H]- 235.16240 154.7
[M]+ 214.18718 156.0
[M]- 214.18828 156.0
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.