CID 30142

Heptyltrimethylammonium iodide

Structural Information

Molecular Formula
C10H24N
SMILES
CCCCCCC[N+](C)(C)C
InChI
InChI=1S/C10H24N/c1-5-6-7-8-9-10-11(2,3)4/h5-10H2,1-4H3/q+1
InChIKey
PISCILXZPLTTFP-UHFFFAOYSA-N
Compound name
heptyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1195
Patents

158.19087 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.19815 137.7
[M+Na]+ 181.18009 143.4
[M-H]- 157.18359 139.3
[M+NH4]+ 176.22469 159.6
[M+K]+ 197.15403 138.0
[M+H-H2O]+ 141.18813 135.9
[M+HCOO]- 203.18907 160.8
[M+CH3COO]- 217.20472 181.0
[M+Na-2H]- 179.16554 146.5
[M]+ 158.19032 139.5
[M]- 158.19142 139.5
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