CID 59632

3-aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propyl)-9,9-dimethyl-, diiodide

Structural Information

Molecular Formula
C17H37N3
SMILES
CC[N+](C)(CC)CCCN1CC2CCCC(C1)[N+]2(C)C
InChI
InChI=1S/C17H37N3/c1-6-20(5,7-2)13-9-12-18-14-16-10-8-11-17(15-18)19(16,3)4/h16-17H,6-15H2,1-5H3/q+2
InChIKey
PMBUTLOPMKRDHM-UHFFFAOYSA-N
Compound name
3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.29874 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.30602 169.3
[M+Na]+ 306.28796 172.3
[M-H]- 282.29146 169.4
[M+NH4]+ 301.33256 186.4
[M+K]+ 322.26190 159.0
[M+H-H2O]+ 266.29600 167.3
[M+HCOO]- 328.29694 180.8
[M+CH3COO]- 342.31259 198.6
[M+Na-2H]- 304.27341 178.7
[M]+ 283.29819 164.8
[M]- 283.29929 164.8
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.