CID 424876

Ammonium, trimethyl(3-(2-(trimethylammoniomethyl)-3-norbornanyl)propyl)-, diiodide

Structural Information

Molecular Formula
C17H36N2
SMILES
C[N+](C)(C)CCCC1C2CCC(C2)C1C[N+](C)(C)C
InChI
InChI=1S/C17H36N2/c1-18(2,3)11-7-8-16-14-9-10-15(12-14)17(16)13-19(4,5)6/h14-17H,7-13H2,1-6H3/q+2
InChIKey
QWPRLSWNXAMJBS-UHFFFAOYSA-N
Compound name
trimethyl-[3-[3-[(trimethylazaniumyl)methyl]-2-bicyclo[2.2.1]heptanyl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.28784 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.295116 167.1
[M+Na]+ 291.277058 170.9
[M-H]- 267.280564 172.1
[M+NH4]+ 286.321663 189.6
[M+K]+ 307.250998 158.9
[M+H-H2O]+ 251.285100 167.9
[M+HCOO]- 313.286041 186.3
[M+CH3COO]- 327.301691 201.3
[M+Na-2H]- 289.262506 175.2
[M]+ 268.28729142 166.1
[M]- 268.28838858 166.1
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

No patent data available for this compound.