CID 3793299

6-amino-2,4-dimethyl-3-pyridinecarbonitrile

Structural Information

Molecular Formula
C8H9N3
SMILES
CC1=CC(=NC(=C1C#N)C)N
InChI
InChI=1S/C8H9N3/c1-5-3-8(10)11-6(2)7(5)4-9/h3H,1-2H3,(H2,10,11)
InChIKey
ZFXMWBGQRGABCI-UHFFFAOYSA-N
Compound name
6-amino-2,4-dimethylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

254
Patents

147.07965 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.086926 130.6
[M+Na]+ 170.068868 141.8
[M-H]- 146.072374 132.8
[M+NH4]+ 165.113473 148.7
[M+K]+ 186.042808 139.3
[M+H-H2O]+ 130.076910 118.0
[M+HCOO]- 192.077851 150.8
[M+CH3COO]- 206.093501 192.1
[M+Na-2H]- 168.054316 136.0
[M]+ 147.07910142 124.9
[M]- 147.08019858 124.9
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

patents stripe