CID 52164

73680-92-9

Structural Information

Molecular Formula
C15H24NO
SMILES
C[N+]1(CC2CCC(C1)CC2)CCC3=CC=CO3
InChI
InChI=1S/C15H24NO/c1-16(9-8-15-3-2-10-17-15)11-13-4-5-14(12-16)7-6-13/h2-3,10,13-14H,4-9,11-12H2,1H3/q+1
InChIKey
GGIQJOMJWBWWAQ-UHFFFAOYSA-N
Compound name
3-[2-(furan-2-yl)ethyl]-3-methyl-3-azoniabicyclo[3.2.2]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.18579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19307 160.5
[M+Na]+ 257.17501 168.1
[M-H]- 233.17851 163.9
[M+NH4]+ 252.21961 180.8
[M+K]+ 273.14895 158.0
[M+H-H2O]+ 217.18305 161.0
[M+HCOO]- 279.18399 170.7
[M+CH3COO]- 293.19964 169.7
[M+Na-2H]- 255.16046 169.9
[M]+ 234.18524 158.6
[M]- 234.18634 158.6
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.