CID 13081754

2-ethynyl-4,6-dimethylpyrimidine

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=CC(=NC(=N1)C#C)C
InChI
InChI=1S/C8H8N2/c1-4-8-9-6(2)5-7(3)10-8/h1,5H,2-3H3
InChIKey
VGWRJXCDOHBOSC-UHFFFAOYSA-N
Compound name
2-ethynyl-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.06874 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 123.1
[M+Na]+ 155.05796 134.7
[M-H]- 131.06146 122.8
[M+NH4]+ 150.10256 140.5
[M+K]+ 171.03190 131.6
[M+H-H2O]+ 115.06600 110.3
[M+HCOO]- 177.06694 139.6
[M+CH3COO]- 191.08259 183.2
[M+Na-2H]- 153.04341 129.7
[M]+ 132.06819 118.2
[M]- 132.06929 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.