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

123
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 119.3
[M+Na]+ 142.03757 130.2
[M-H]- 118.04107 119.9
[M+NH4]+ 137.08217 137.0
[M+K]+ 158.01151 128.3
[M+H-H2O]+ 102.04561 105.8
[M+HCOO]- 164.04655 138.4
[M+CH3COO]- 178.06220 183.4
[M+Na-2H]- 140.02302 128.0
[M]+ 119.04780 114.2
[M]- 119.04890 114.2
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