CID 436416

Nsc 401415

Structural Information

Molecular Formula
C14H20NO
SMILES
C[N+]12CCC(CC1)(C(C2)O)C3=CC=CC=C3
InChI
InChI=1S/C14H20NO/c1-15-9-7-14(8-10-15,13(16)11-15)12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3/q+1
InChIKey
HWSJHLHRHLEJPM-UHFFFAOYSA-N
Compound name
1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1545 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16178 149.2
[M+Na]+ 241.14372 154.1
[M-H]- 217.14722 147.0
[M+NH4]+ 236.18832 173.6
[M+K]+ 257.11766 144.4
[M+H-H2O]+ 201.15176 144.3
[M+HCOO]- 263.15270 158.2
[M+CH3COO]- 277.16835 158.7
[M+Na-2H]- 239.12917 163.3
[M]+ 218.15395 146.8
[M]- 218.15505 146.8
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.