CID 47121

64058-07-7

Structural Information

Molecular Formula
C15H32N2
SMILES
C[N+]1(CC2CCCC(C2)C1)CCC[N+](C)(C)C
InChI
InChI=1S/C15H32N2/c1-16(2,3)9-6-10-17(4)12-14-7-5-8-15(11-14)13-17/h14-15H,5-13H2,1-4H3/q+2
InChIKey
ZGQFRKGPTOKGRG-UHFFFAOYSA-N
Compound name
trimethyl-[3-(3-methyl-3-azoniabicyclo[3.3.1]nonan-3-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.25655 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.26383 157.0
[M+Na]+ 263.24577 170.6
[M+NH4]+ 258.29037 170.3
[M+K]+ 279.21971 162.2
[M-H]- 239.24927 162.7
[M+Na-2H]- 261.23122 163.7
[M]+ 240.25600 161.5
[M]- 240.25710 161.5
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.