CID 16778481

120741-33-5

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC(C1=CN=CC=C1)NC

InChI

InChI=1S/C8H12N2/c1-7(9-2)8-4-3-5-10-6-8/h3-7,9H,1-2H3

InChIKey

RYLMQQMCVLCCOT-UHFFFAOYSA-N

Compound name

N-methyl-1-pyridin-3-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 68
Patents: 136.10005 Da
Monoisotopic Mass: 0.6
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]+	137.10733	128.4
[M+Na]+	159.08927	140.8
[M+NH4]+	154.13387	137.4
[M+K]+	175.06321	134.3
[M-H]-	135.09277	131.1
[M+Na-2H]-	157.07472	136.4
[M]+	136.09950	130.8
[M]-	136.10060	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe