CID 3033043

Bicyclo(2.2.2)octane-2-methylamine, n,n-dimethyl-3-phenyl-, hydrochloride, (e)-

Structural Information

Molecular Formula
C17H25N
SMILES
CN(C)C[C@@H]1C2CCC(C1C3=CC=CC=C3)CC2
InChI
InChI=1S/C17H25N/c1-18(2)12-16-13-8-10-15(11-9-13)17(16)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3/t13?,15?,16-,17?/m1/s1
InChIKey
XQGAMWDOCIXVRB-XOJNLIDHSA-N
Compound name
N,N-dimethyl-1-[(2R)-3-phenyl-2-bicyclo[2.2.2]octanyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.1987 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20598 157.0
[M+Na]+ 266.18792 159.0
[M-H]- 242.19142 157.4
[M+NH4]+ 261.23252 179.0
[M+K]+ 282.16186 155.9
[M+H-H2O]+ 226.19596 150.1
[M+HCOO]- 288.19690 169.3
[M+CH3COO]- 302.21255 166.4
[M+Na-2H]- 264.17337 165.3
[M]+ 243.19815 156.9
[M]- 243.19925 156.9
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.