CID 2786726

2-amino-6-methylpyridine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C8H6N4
SMILES
CC1=NC(=C(C=C1C#N)C#N)N
InChI
InChI=1S/C8H6N4/c1-5-6(3-9)2-7(4-10)8(11)12-5/h2H,1H3,(H2,11,12)
InChIKey
WDPUOYPYEKYTMM-UHFFFAOYSA-N
Compound name
2-amino-6-methylpyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

158.05925 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06653 146.2
[M+Na]+ 181.04847 156.4
[M-H]- 157.05197 148.5
[M+NH4]+ 176.09307 158.7
[M+K]+ 197.02241 154.0
[M+H-H2O]+ 141.05651 130.7
[M+HCOO]- 203.05745 158.8
[M+CH3COO]- 217.07310 214.1
[M+Na-2H]- 179.03392 148.6
[M]+ 158.05870 137.3
[M]- 158.05980 137.3
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