CID 45791166

780803-63-6

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=C(N=CC=C1)C(C)N

InChI

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

InChIKey

PWLIYNAODUMYSS-UHFFFAOYSA-N

Compound name

1-(3-methylpyridin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 136.10005 Da
Monoisotopic Mass: 0.5
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	128.5
[M+Na]+	159.08927	136.3
[M-H]-	135.09277	130.7
[M+NH4]+	154.13387	148.7
[M+K]+	175.06321	134.6
[M+H-H2O]+	119.09731	122.2
[M+HCOO]-	181.09825	151.6
[M+CH3COO]-	195.11390	177.0
[M+Na-2H]-	157.07472	134.7
[M]+	136.09950	126.6
[M]-	136.10060	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe