CID 9311

Heptamethylenebis(trimethylammonium iodide)

Structural Information

Molecular Formula
C13H32N2
SMILES
C[N+](C)(C)CCCCCCC[N+](C)(C)C
InChI
InChI=1S/C13H32N2/c1-14(2,3)12-10-8-7-9-11-13-15(4,5)6/h7-13H2,1-6H3/q+2
InChIKey
FSXAETDSARHBGO-UHFFFAOYSA-N
Compound name
trimethyl-[7-(trimethylazaniumyl)heptyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

73
Patents

216.25655 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.26383 153.3
[M+Na]+ 239.24577 165.9
[M+NH4]+ 234.29037 163.5
[M+K]+ 255.21971 160.6
[M-H]- 215.24927 157.9
[M+Na-2H]- 237.23122 159.5
[M]+ 216.25600 157.2
[M]- 216.25710 157.2
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