CID 318074

3-amino-5-chloro-6-methylpyrazine-2-carbonitrile

Structural Information

Molecular Formula
C6H5ClN4
SMILES
CC1=C(N=C(C(=N1)C#N)N)Cl
InChI
InChI=1S/C6H5ClN4/c1-3-5(7)11-6(9)4(2-8)10-3/h1H3,(H2,9,11)
InChIKey
NDADGNJBYZIATE-UHFFFAOYSA-N
Compound name
3-amino-5-chloro-6-methylpyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

168.02028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02756 131.4
[M+Na]+ 191.00950 143.7
[M-H]- 167.01300 131.9
[M+NH4]+ 186.05410 148.0
[M+K]+ 206.98344 140.0
[M+H-H2O]+ 151.01754 118.6
[M+HCOO]- 213.01848 146.6
[M+CH3COO]- 227.03413 192.6
[M+Na-2H]- 188.99495 137.2
[M]+ 168.01973 126.9
[M]- 168.02083 126.9
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

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