CID 913023

5-allyl-6-chloro-2-methylpyrimidin-4-amine

Structural Information

Molecular Formula

C₈H₁₀ClN₃

SMILES

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

InChI

InChI=1S/C8H10ClN3/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3H,1,4H2,2H3,(H2,10,11,12)

InChIKey

PMNLBPKZOWXYIE-UHFFFAOYSA-N

Compound name

6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 183.05632 Da
Monoisotopic Mass: 2.3
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]+	184.06360	137.0
[M+Na]+	206.04554	151.1
[M+NH4]+	201.09014	145.1
[M+K]+	222.01948	144.0
[M-H]-	182.04904	138.7
[M+Na-2H]-	204.03099	143.7
[M]+	183.05577	139.7
[M]-	183.05687	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe