CID 3033210

(z)-2-(methylaminomethyl)-3-phenylbicyclo(2.2.2)octane, hycrochloride

Structural Information

Molecular Formula
C16H23N
SMILES
CNC[C@H]1[C@H](C2CCC1CC2)C3=CC=CC=C3
InChI
InChI=1S/C16H23N/c1-17-11-15-12-7-9-14(10-8-12)16(15)13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3/t12?,14?,15-,16+/m1/s1
InChIKey
UJWZWFZELVZHTK-GDVJOBBMSA-N
Compound name
N-methyl-1-[(2R,3S)-3-phenyl-2-bicyclo[2.2.2]octanyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.190316 151.2
[M+Na]+ 252.172258 153.6
[M-H]- 228.175764 150.5
[M+NH4]+ 247.216863 173.2
[M+K]+ 268.146198 149.5
[M+H-H2O]+ 212.180300 144.7
[M+HCOO]- 274.181241 163.5
[M+CH3COO]- 288.196891 160.7
[M+Na-2H]- 250.157706 161.0
[M]+ 229.18249142 149.7
[M]- 229.18358858 149.7
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

patents stripe