CID 23273385

6-methylpyrazine-2-carbonitrile

Structural Information

Molecular Formula
C6H5N3
SMILES
CC1=CN=CC(=N1)C#N
InChI
InChI=1S/C6H5N3/c1-5-3-8-4-6(2-7)9-5/h3-4H,1H3
InChIKey
HKXUBMYIEQIRNT-UHFFFAOYSA-N
Compound name
6-methylpyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

119.04835 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.05563 124.4
[M+Na]+ 142.03757 137.8
[M+NH4]+ 137.08217 129.5
[M+K]+ 158.01151 128.4
[M-H]- 118.04107 118.7
[M+Na-2H]- 140.02302 129.8
[M]+ 119.04780 123.8
[M]- 119.04890 123.8
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

patents stripe