CID 12441297

2-ethynylpyrimidine

Structural Information

Molecular Formula
C6H4N2
SMILES
C#CC1=NC=CC=N1
InChI
InChI=1S/C6H4N2/c1-2-6-7-4-3-5-8-6/h1,3-5H
InChIKey
BMNUHRHTDNKJII-UHFFFAOYSA-N
Compound name
2-ethynylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

424
Patents

104.037445 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04472 121.0
[M+Na]+ 127.02666 134.7
[M+NH4]+ 122.07127 126.2
[M+K]+ 143.00060 125.1
[M-H]- 103.03017 114.6
[M+Na-2H]- 125.01211 126.4
[M]+ 104.03690 120.3
[M]- 104.03799 120.3
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

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