CID 71169

Isaxonine

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC(C)NC1=NC=CC=N1

InChI

InChI=1S/C7H11N3/c1-6(2)10-7-8-4-3-5-9-7/h3-6H,1-2H3,(H,8,9,10)

InChIKey

FTCYIGBVOHNHCD-UHFFFAOYSA-N

Compound name

N-propan-2-ylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 58
References: 359
Patents: 137.09529 Da
Monoisotopic Mass: 1.3
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	128.0
[M+Na]+	160.08451	140.3
[M+NH4]+	155.12911	136.3
[M+K]+	176.05845	134.4
[M-H]-	136.08801	129.8
[M+Na-2H]-	158.06996	135.8
[M]+	137.09474	130.1
[M]-	137.09584	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe