CID 74888524

2375259-42-8

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

CC1=C(C=NC=C1C#C)N

InChI

InChI=1S/C8H8N2/c1-3-7-4-10-5-8(9)6(7)2/h1,4-5H,9H2,2H3

InChIKey

JWGICYXJHLRPQH-UHFFFAOYSA-N

Compound name

5-ethynyl-4-methylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.06874 Da
Monoisotopic Mass: 0.8
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]+	133.07602	127.9
[M+Na]+	155.05796	140.8
[M+NH4]+	150.10256	133.0
[M+K]+	171.03190	131.5
[M-H]-	131.06146	122.4
[M+Na-2H]-	153.04341	132.2
[M]+	132.06819	127.3
[M]-	132.06929	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.