CID 9794203

Lanicemine

Structural Information

Molecular Formula

C₁₃H₁₄N₂

SMILES

C1=CC=C(C=C1)[C@H](CC2=CC=CC=N2)N

InChI

InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1

InChIKey

FWUQWDCOOWEXRY-ZDUSSCGKSA-N

Compound name

(1S)-1-phenyl-2-pyridin-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 45
References: 969
Patents: 198.11569 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]+	199.12297	144.1
[M+Na]+	221.10491	150.1
[M-H]-	197.10841	148.6
[M+NH4]+	216.14951	160.9
[M+K]+	237.07885	146.2
[M+H-H2O]+	181.11295	135.9
[M+HCOO]-	243.11389	166.9
[M+CH3COO]-	257.12954	156.2
[M+Na-2H]-	219.09036	151.1
[M]+	198.11514	141.0
[M]-	198.11624	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe