CID 47129

64058-11-3

Structural Information

Molecular Formula
C17H34N2
SMILES
C[N+]1(CCCC1)CCC[N+]2(CC3CCCC(C3)C2)C
InChI
InChI=1S/C17H34N2/c1-18(9-3-4-10-18)11-6-12-19(2)14-16-7-5-8-17(13-16)15-19/h16-17H,3-15H2,1-2H3/q+2
InChIKey
JCFLATGEBBSYLU-UHFFFAOYSA-N
Compound name
3-methyl-3-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3-azoniabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.2722 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.27948 168.3
[M+Na]+ 289.26142 170.4
[M-H]- 265.26492 169.7
[M+NH4]+ 284.30602 188.3
[M+K]+ 305.23536 155.8
[M+H-H2O]+ 249.26946 164.8
[M+HCOO]- 311.27040 178.2
[M+CH3COO]- 325.28605 186.2
[M+Na-2H]- 287.24687 174.1
[M]+ 266.27165 158.4
[M]- 266.27275 158.4
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.