CID 43142243

2-benzylpyrimidin-5-amine

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

C1=CC=C(C=C1)CC2=NC=C(C=N2)N

InChI

InChI=1S/C11H11N3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6,12H2

InChIKey

SIODZEMETHAHOI-UHFFFAOYSA-N

Compound name

2-benzylpyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 185.09529 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]+	186.10257	139.8
[M+Na]+	208.08451	154.8
[M+NH4]+	203.12911	148.6
[M+K]+	224.05845	147.0
[M-H]-	184.08801	144.4
[M+Na-2H]-	206.06996	150.5
[M]+	185.09474	143.3
[M]-	185.09584	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe