CID 23068295

830348-34-0

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=CN=C(C=C1)CCN

InChI

InChI=1S/C8H12N2/c1-7-2-3-8(4-5-9)10-6-7/h2-3,6H,4-5,9H2,1H3

InChIKey

ALFLVVUSEVUACU-UHFFFAOYSA-N

Compound name

2-(5-methylpyridin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
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	127.8
[M+Na]+	159.08927	140.6
[M+NH4]+	154.13387	136.8
[M+K]+	175.06321	133.8
[M-H]-	135.09277	130.6
[M+Na-2H]-	157.07472	135.5
[M]+	136.09950	130.4
[M]-	136.10060	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe