CID 43557629

4-chloro-2,6-bis(propan-2-yl)pyrimidine

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂

SMILES

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

InChI

InChI=1S/C10H15ClN2/c1-6(2)8-5-9(11)13-10(12-8)7(3)4/h5-7H,1-4H3

InChIKey

VTBIAIVKOAUJGU-UHFFFAOYSA-N

Compound name

4-chloro-2,6-di(propan-2-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 198.09238 Da
Monoisotopic Mass: 3.5
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]+	199.09966	142.9
[M+Na]+	221.08160	157.1
[M+NH4]+	216.12620	151.3
[M+K]+	237.05554	150.4
[M-H]-	197.08510	144.3
[M+Na-2H]-	219.06705	149.5
[M]+	198.09183	145.7
[M]-	198.09293	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe