CID 18735156

5-ethyl-4,6-dimethylpyrimidine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CCC1=C(N=CN=C1C)C

InChI

InChI=1S/C8H12N2/c1-4-8-6(2)9-5-10-7(8)3/h5H,4H2,1-3H3

InChIKey

YZPSWCDZBOOMLG-UHFFFAOYSA-N

Compound name

5-ethyl-4,6-dimethylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 136.10005 Da
Monoisotopic Mass: 1.8
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]+	137.10733	128.1
[M+Na]+	159.08927	142.7
[M+NH4]+	154.13387	136.9
[M+K]+	175.06321	135.7
[M-H]-	135.09277	130.0
[M+Na-2H]-	157.07472	135.9
[M]+	136.09950	130.8
[M]-	136.10060	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe