CID 21542

Tetraisoamylammonium iodide

Structural Information

Molecular Formula
C20H44N
SMILES
CC(C)CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C
InChI
InChI=1S/C20H44N/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8/h17-20H,9-16H2,1-8H3/q+1
InChIKey
VPYHKSUKMGPRIN-UHFFFAOYSA-N
Compound name
tetrakis(3-methylbutyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

279
Patents

298.34738 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.354656 183.5
[M+Na]+ 321.336598 184.3
[M-H]- 297.340104 183.5
[M+NH4]+ 316.381203 199.5
[M+K]+ 337.310538 177.9
[M+H-H2O]+ 281.344640 180.2
[M+HCOO]- 343.345581 199.4
[M+CH3COO]- 357.361231 213.8
[M+Na-2H]- 319.322046 182.1
[M]+ 298.34683142 186.4
[M]- 298.34792858 186.4
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