CID 81438

6971-57-9

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=NC(=CC=C1)CNC

InChI

InChI=1S/C8H12N2/c1-7-4-3-5-8(10-7)6-9-2/h3-5,9H,6H2,1-2H3

InChIKey

NQMUUQGZZLWYGM-UHFFFAOYSA-N

Compound name

N-methyl-1-(6-methylpyridin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 136.10005 Da
Monoisotopic Mass: 0.7
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]+	137.10733	127.8
[M+Na]+	159.08927	140.9
[M+NH4]+	154.13387	136.9
[M+K]+	175.06321	133.9
[M-H]-	135.09277	130.7
[M+Na-2H]-	157.07472	135.9
[M]+	136.09950	130.5
[M]-	136.10060	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe