CID 5370825

1-propenylpyrazine

Structural Information

Molecular Formula
C7H8N2
SMILES
C/C=C/C1=NC=CN=C1
InChI
InChI=1S/C7H8N2/c1-2-3-7-6-8-4-5-9-7/h2-6H,1H3/b3-2+
InChIKey
ZBHYPERRXYKXGT-NSCUHMNNSA-N
Compound name
2-[(E)-prop-1-enyl]pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

120.06875 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.07603 123.5
[M+Na]+ 143.05797 137.5
[M+NH4]+ 138.10257 132.2
[M+K]+ 159.03191 130.2
[M-H]- 119.06147 125.0
[M+Na-2H]- 141.04342 131.9
[M]+ 120.06820 125.9
[M]- 120.06930 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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