CID 45079728

202217-04-7

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC1=CC(=NC(=C1)N)CN

InChI

InChI=1S/C7H11N3/c1-5-2-6(4-8)10-7(9)3-5/h2-3H,4,8H2,1H3,(H2,9,10)

InChIKey

ASVYRHQTNRRGIH-UHFFFAOYSA-N

Compound name

6-(aminomethyl)-4-methylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 137.09529 Da
Monoisotopic Mass: -0.2
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]+	138.10257	127.1
[M+Na]+	160.08451	138.9
[M+NH4]+	155.12911	135.5
[M+K]+	176.05845	133.2
[M-H]-	136.08801	130.0
[M+Na-2H]-	158.06996	134.0
[M]+	137.09474	129.4
[M]-	137.09584	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe