CID 13439269

2-isopropyl-6-methylpyrimidin-4-amine

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CC1=CC(=NC(=N1)C(C)C)N

InChI

InChI=1S/C8H13N3/c1-5(2)8-10-6(3)4-7(9)11-8/h4-5H,1-3H3,(H2,9,10,11)

InChIKey

XHGGSKDDBNJABS-UHFFFAOYSA-N

Compound name

6-methyl-2-propan-2-ylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 151.11095 Da
Monoisotopic Mass: 1.2
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]+	152.11823	132.5
[M+Na]+	174.10017	145.1
[M+NH4]+	169.14477	140.4
[M+K]+	190.07411	139.5
[M-H]-	150.10367	134.2
[M+Na-2H]-	172.08562	139.0
[M]+	151.11040	134.6
[M]-	151.11150	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe