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

134
Patents

119.04835 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.055626 119.3
[M+Na]+ 142.037568 130.2
[M-H]- 118.041074 119.9
[M+NH4]+ 137.082173 137.0
[M+K]+ 158.011508 128.3
[M+H-H2O]+ 102.045610 105.8
[M+HCOO]- 164.046551 138.4
[M+CH3COO]- 178.062201 183.4
[M+Na-2H]- 140.023016 128.0
[M]+ 119.04780142 114.2
[M]- 119.04889858 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