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

58
Patents

136.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 127.5
[M+Na]+ 159.089268 137.4
[M-H]- 135.092774 129.0
[M+NH4]+ 154.133873 147.4
[M+K]+ 175.063208 135.6
[M+H-H2O]+ 119.097310 120.9
[M+HCOO]- 181.098251 149.8
[M+CH3COO]- 195.113901 176.0
[M+Na-2H]- 157.074716 135.1
[M]+ 136.09950142 128.9
[M]- 136.10059858 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe