CID 23273412

6-methoxypyrazine-2-carbonitrile

Structural Information

Molecular Formula
C6H5N3O
SMILES
COC1=NC(=CN=C1)C#N
InChI
InChI=1S/C6H5N3O/c1-10-6-4-8-3-5(2-7)9-6/h3-4H,1H3
InChIKey
HJMUXUUZHUCKFP-UHFFFAOYSA-N
Compound name
6-methoxypyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.04326 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 127.3
[M+Na]+ 158.03248 140.2
[M+NH4]+ 153.07708 131.8
[M+K]+ 174.00642 131.3
[M-H]- 134.03598 121.1
[M+Na-2H]- 156.01793 132.2
[M]+ 135.04271 126.5
[M]- 135.04381 126.5
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.