CID 535492

3,6-dimethylpyrazine-2-carbonitrile

Structural Information

Molecular Formula
C7H7N3
SMILES
CC1=CN=C(C(=N1)C#N)C
InChI
InChI=1S/C7H7N3/c1-5-4-9-6(2)7(3-8)10-5/h4H,1-2H3
InChIKey
NCKKBZUIFHHRBY-UHFFFAOYSA-N
Compound name
3,6-dimethylpyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

133.064 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.071276 123.1
[M+Na]+ 156.053218 134.4
[M-H]- 132.056724 123.9
[M+NH4]+ 151.097823 140.6
[M+K]+ 172.027158 132.4
[M+H-H2O]+ 116.061260 109.6
[M+HCOO]- 178.062201 141.9
[M+CH3COO]- 192.077851 187.1
[M+Na-2H]- 154.038666 130.6
[M]+ 133.06345142 118.7
[M]- 133.06454858 118.7
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