CID 165696814

2-(but-3-yn-1-yl)pyrazine

Structural Information

Molecular Formula
C8H8N2
SMILES
C#CCCC1=NC=CN=C1
InChI
InChI=1S/C8H8N2/c1-2-3-4-8-7-9-5-6-10-8/h1,5-7H,3-4H2
InChIKey
IELCJVVBBKYARI-UHFFFAOYSA-N
Compound name
2-but-3-ynylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.06874 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 124.0
[M+Na]+ 155.05796 133.9
[M-H]- 131.06146 122.8
[M+NH4]+ 150.10256 140.7
[M+K]+ 171.03190 130.6
[M+H-H2O]+ 115.06600 110.5
[M+HCOO]- 177.06694 140.4
[M+CH3COO]- 191.08259 181.3
[M+Na-2H]- 153.04341 131.7
[M]+ 132.06819 118.3
[M]- 132.06929 118.3
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

No patent data available for this compound.