CID 3066289

Crl 41244

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

CC(C)N1CCC=C(C1)C2=CC=CC=C2

InChI

InChI=1S/C14H19N/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-5,7-9,12H,6,10-11H2,1-2H3

InChIKey

AVSVZQOSCUASQV-UHFFFAOYSA-N

Compound name

5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 201.15175 Da
Monoisotopic Mass: 2.9
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	147.1
[M+Na]+	224.14097	152.3
[M-H]-	200.14447	151.6
[M+NH4]+	219.18557	164.6
[M+K]+	240.11491	149.2
[M+H-H2O]+	184.14901	139.1
[M+HCOO]-	246.14995	166.3
[M+CH3COO]-	260.16560	187.3
[M+Na-2H]-	222.12642	151.3
[M]+	201.15120	143.5
[M]-	201.15230	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe