CID 12377256

65242-15-1

Structural Information

Molecular Formula

C₉H₁₁N₃

SMILES

CC(C)C1=CC(=C(N=C1)N)C#N

InChI

InChI=1S/C9H11N3/c1-6(2)8-3-7(4-10)9(11)12-5-8/h3,5-6H,1-2H3,(H2,11,12)

InChIKey

WWTCHXBZADGKGR-UHFFFAOYSA-N

Compound name

2-amino-5-propan-2-ylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 161.09529 Da
Monoisotopic Mass: 1.9
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]+	162.10257	136.9
[M+Na]+	184.08451	148.6
[M+NH4]+	179.12911	141.6
[M+K]+	200.05845	139.8
[M-H]-	160.08801	131.8
[M+Na-2H]-	182.06996	140.7
[M]+	161.09474	136.2
[M]-	161.09584	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe