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]+ 230.19032 149.9
[M+Na]+ 252.17226 161.6
[M+NH4]+ 247.21686 162.1
[M+K]+ 268.14620 152.2
[M-H]- 228.17576 152.4
[M+Na-2H]- 250.15771 151.5
[M]+ 229.18249 152.3
[M]- 229.18359 152.3
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