CID 3067894

Quinuclidinium, 3-hydroxy-1-methyl-2-methylene-3-phenyl-, iodide

Structural Information

Molecular Formula
C15H20NO
SMILES
C[N+]12CCC(CC1)C(C2=C)(C3=CC=CC=C3)O
InChI
InChI=1S/C15H20NO/c1-12-15(17,13-6-4-3-5-7-13)14-8-10-16(12,2)11-9-14/h3-7,14,17H,1,8-11H2,2H3/q+1
InChIKey
CWWRJYICXIWNOZ-UHFFFAOYSA-N
Compound name
1-methyl-2-methylidene-3-phenyl-1-azoniabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

230.1545 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.16178 152.6
[M+Na]+ 253.14372 158.2
[M-H]- 229.14722 150.5
[M+NH4]+ 248.18832 176.7
[M+K]+ 269.11766 147.8
[M+H-H2O]+ 213.15176 147.9
[M+HCOO]- 275.15270 161.3
[M+CH3COO]- 289.16835 186.4
[M+Na-2H]- 251.12917 165.6
[M]+ 230.15395 150.2
[M]- 230.15505 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.