CID 3049470

64838-02-4

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

CN1C2CCC1CC(C2)C3=CC=CC=C3

InChI

InChI=1S/C14H19N/c1-15-13-7-8-14(15)10-12(9-13)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3

InChIKey

VGZDEVKDDGMADS-UHFFFAOYSA-N

Compound name

8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 340
Patents: 201.15175 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	202.15903	146.8
[M+Na]+	224.14097	152.9
[M-H]-	200.14447	150.8
[M+NH4]+	219.18557	168.0
[M+K]+	240.11491	148.9
[M+H-H2O]+	184.14901	139.6
[M+HCOO]-	246.14995	164.5
[M+CH3COO]-	260.16560	158.7
[M+Na-2H]-	222.12642	150.5
[M]+	201.15120	142.8
[M]-	201.15230	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe