CID 88234139

2138560-52-6

Structural Information

Molecular Formula

C₉H₁₄ClN₃

SMILES

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

InChI

InChI=1S/C9H14ClN3/c1-6(2)13(4)9-11-7(3)5-8(10)12-9/h5-6H,1-4H3

InChIKey

KAUYTFUEVYGORL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 199.08763 Da
Monoisotopic Mass: 2.8
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]+	200.09491	142.0
[M+Na]+	222.07685	151.1
[M-H]-	198.08035	144.6
[M+NH4]+	217.12145	160.3
[M+K]+	238.05079	148.8
[M+H-H2O]+	182.08489	135.1
[M+HCOO]-	244.08583	159.9
[M+CH3COO]-	258.10148	192.0
[M+Na-2H]-	220.06230	146.9
[M]+	199.08708	145.5
[M]-	199.08818	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe