CID 3064502

104802-92-8

Structural Information

Molecular Formula
C12H16N4
SMILES
C1CCC(CC1)NC2=C(C(=NC=C2)N)C#N
InChI
InChI=1S/C12H16N4/c13-8-10-11(6-7-15-12(10)14)16-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H3,14,15,16)
InChIKey
XQHDQWVSSVBRDQ-UHFFFAOYSA-N
Compound name
2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1375 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 156.1
[M+Na]+ 239.12672 166.4
[M+NH4]+ 234.17132 160.8
[M+K]+ 255.10066 156.5
[M-H]- 215.13022 153.1
[M+Na-2H]- 237.11217 160.1
[M]+ 216.13695 155.7
[M]- 216.13805 155.7
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

No patent data available for this compound.