CID 93874

58669-30-0

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CC(C)NCC1=CC=CC=N1

InChI

InChI=1S/C9H14N2/c1-8(2)11-7-9-5-3-4-6-10-9/h3-6,8,11H,7H2,1-2H3

InChIKey

YDCNZMOBAPTYRB-UHFFFAOYSA-N

Compound name

N-(pyridin-2-ylmethyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 618
Patents: 150.11569 Da
Monoisotopic Mass: 1.1
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]+	151.12297	132.8
[M+Na]+	173.10491	139.2
[M-H]-	149.10841	134.9
[M+NH4]+	168.14951	152.4
[M+K]+	189.07885	137.6
[M+H-H2O]+	133.11295	126.0
[M+HCOO]-	195.11389	156.2
[M+CH3COO]-	209.12954	179.6
[M+Na-2H]-	171.09036	140.3
[M]+	150.11514	131.9
[M]-	150.11624	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe