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
2
Annotation Hits

0
References

306
Patents

298.34738 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.35466 183.5
[M+Na]+ 321.33660 184.3
[M-H]- 297.34010 183.5
[M+NH4]+ 316.38120 199.5
[M+K]+ 337.31054 177.9
[M+H-H2O]+ 281.34464 180.2
[M+HCOO]- 343.34558 199.4
[M+CH3COO]- 357.36123 213.8
[M+Na-2H]- 319.32205 182.1
[M]+ 298.34683 186.4
[M]- 298.34793 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