CID 47127

64058-10-2

Structural Information

Molecular Formula
C16H32N2
SMILES
C[N+]1(CCCC1)CC[N+]2(CC3CCCC(C3)C2)C
InChI
InChI=1S/C16H32N2/c1-17(8-3-4-9-17)10-11-18(2)13-15-6-5-7-16(12-15)14-18/h15-16H,3-14H2,1-2H3/q+2
InChIKey
GZSOKHOXFNDIST-UHFFFAOYSA-N
Compound name
3-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3-azoniabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.25655 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.263826 163.8
[M+Na]+ 275.245768 166.4
[M-H]- 251.249274 165.5
[M+NH4]+ 270.290373 184.4
[M+K]+ 291.219708 152.0
[M+H-H2O]+ 235.253810 160.5
[M+HCOO]- 297.254751 174.0
[M+CH3COO]- 311.270401 183.3
[M+Na-2H]- 273.231216 170.1
[M]+ 252.25600142 153.6
[M]- 252.25709858 153.6
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.