CID 84774

Hexyltrimethylammonium iodide

Structural Information

Molecular Formula
C9H22N
SMILES
CCCCCC[N+](C)(C)C
InChI
InChI=1S/C9H22N/c1-5-6-7-8-9-10(2,3)4/h5-9H2,1-4H3/q+1
InChIKey
XTPRURKTXNFVQT-UHFFFAOYSA-N
Compound name
hexyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

4518
Patents

144.17523 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.18251 132.9
[M+Na]+ 167.16445 139.0
[M-H]- 143.16795 134.7
[M+NH4]+ 162.20905 155.4
[M+K]+ 183.13839 133.9
[M+H-H2O]+ 127.17249 131.3
[M+HCOO]- 189.17343 156.4
[M+CH3COO]- 203.18908 177.9
[M+Na-2H]- 165.14990 142.3
[M]+ 144.17468 134.4
[M]- 144.17578 134.4
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