CID 16687539

633-141-7

Structural Information

Molecular Formula
C5H13AlO
SMILES
CC(C)O[Al](C)C
InChI
InChI=1S/C3H7O.2CH3.Al/c1-3(2)4;;;/h3H,1-2H3;2*1H3;/q-1;;;+1
InChIKey
HJYACKPVJCHPFH-UHFFFAOYSA-N
Compound name
dimethyl(propan-2-yloxy)alumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

116.07818 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.08546 123.6
[M+Na]+ 139.06740 130.4
[M-H]- 115.07090 124.1
[M+NH4]+ 134.11200 147.0
[M+K]+ 155.04134 131.7
[M+H-H2O]+ 99.075440 119.4
[M+HCOO]- 161.07638 145.7
[M+CH3COO]- 175.09203 171.1
[M+Na-2H]- 137.05285 128.2
[M]+ 116.07763 125.1
[M]- 116.07873 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe