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 151.2
[M+Na]+ 252.17226 153.6
[M-H]- 228.17576 150.5
[M+NH4]+ 247.21686 173.2
[M+K]+ 268.14620 149.5
[M+H-H2O]+ 212.18030 144.7
[M+HCOO]- 274.18124 163.5
[M+CH3COO]- 288.19689 160.7
[M+Na-2H]- 250.15771 161.0
[M]+ 229.18249 149.7
[M]- 229.18359 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