CID 21749030

4-chloro-6-(isopropylamino)pyrimidine

Structural Information

Molecular Formula

C₇H₁₀ClN₃

SMILES

CC(C)NC1=CC(=NC=N1)Cl

InChI

InChI=1S/C7H10ClN3/c1-5(2)11-7-3-6(8)9-4-10-7/h3-5H,1-2H3,(H,9,10,11)

InChIKey

GFEMVVWUEVRODL-UHFFFAOYSA-N

Compound name

6-chloro-N-propan-2-ylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 171.05632 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]+	172.06360	133.7
[M+Na]+	194.04554	142.6
[M-H]-	170.04904	134.7
[M+NH4]+	189.09014	152.2
[M+K]+	210.01948	139.4
[M+H-H2O]+	154.05358	127.1
[M+HCOO]-	216.05452	151.7
[M+CH3COO]-	230.07017	181.3
[M+Na-2H]-	192.03099	141.1
[M]+	171.05577	134.8
[M]-	171.05687	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe