CID 3049460

Tropine phenylglycinate dihydrochloride hydrate

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₂

SMILES

CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)N

InChI

InChI=1S/C16H22N2O2/c1-18-12-7-8-13(18)10-14(9-12)20-16(19)15(17)11-5-3-2-4-6-11/h2-6,12-15H,7-10,17H2,1H3

InChIKey

BHIKOXFYANPTEK-UHFFFAOYSA-N

Compound name

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-amino-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 274.16812 Da
Monoisotopic Mass: 1.7
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]+	275.175396	165.3
[M+Na]+	297.157338	169.1
[M-H]-	273.160844	168.6
[M+NH4]+	292.201943	182.6
[M+K]+	313.131278	166.0
[M+H-H2O]+	257.165380	157.8
[M+HCOO]-	319.166321	181.3
[M+CH3COO]-	333.181971	201.7
[M+Na-2H]-	295.142786	165.5
[M]+	274.16757142	161.3
[M]-	274.16866858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe