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

25
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 122.5
[M+Na]+ 143.05797 131.3
[M-H]- 119.06147 123.4
[M+NH4]+ 138.10257 142.4
[M+K]+ 159.03191 129.2
[M+H-H2O]+ 103.06601 115.6
[M+HCOO]- 165.06695 145.4
[M+CH3COO]- 179.08260 169.2
[M+Na-2H]- 141.04342 132.1
[M]+ 120.06820 122.0
[M]- 120.06930 122.0
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

patents stripe