CID 16683952

4731-36-6

Structural Information

Molecular Formula
C12H27Al
SMILES
CC(C)(C)[Al](C(C)(C)C)C(C)(C)C
InChI
InChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*1-3H3;
InChIKey
RTAKQLTYPVIOBZ-UHFFFAOYSA-N
Compound name
tritert-butylalumane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4915
Patents

198.19281 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.20009 147.8
[M+Na]+ 221.18203 153.7
[M-H]- 197.18553 148.2
[M+NH4]+ 216.22663 168.7
[M+K]+ 237.15597 153.6
[M+H-H2O]+ 181.19007 144.7
[M+HCOO]- 243.19101 163.8
[M+CH3COO]- 257.20666 188.8
[M+Na-2H]- 219.16748 152.6
[M]+ 198.19226 149.6
[M]- 198.19336 149.6
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