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 156.6
[M+Na]+ 263.24577 159.6
[M-H]- 239.24927 158.3
[M+NH4]+ 258.29037 176.6
[M+K]+ 279.21971 146.8
[M+H-H2O]+ 223.25381 155.8
[M+HCOO]- 285.25475 170.2
[M+CH3COO]- 299.27040 189.0
[M+Na-2H]- 261.23122 167.3
[M]+ 240.25600 150.7
[M]- 240.25710 150.7
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.