CID 713744

3435-27-6

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CC(C)(C)C1=CC(=NC=N1)N

InChI

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

InChIKey

GVFMWHPJTZVYIF-UHFFFAOYSA-N

Compound name

6-tert-butylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 121
Patents: 151.11095 Da
Monoisotopic Mass: 1.5
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	132.8
[M+Na]+	174.10017	145.0
[M+NH4]+	169.14477	140.7
[M+K]+	190.07411	139.7
[M-H]-	150.10367	134.0
[M+Na-2H]-	172.08562	139.9
[M]+	151.11040	134.9
[M]-	151.11150	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe