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 150.3
[M+Na]+ 239.12672 157.2
[M-H]- 215.13022 153.2
[M+NH4]+ 234.17132 164.5
[M+K]+ 255.10066 152.4
[M+H-H2O]+ 199.13476 135.7
[M+HCOO]- 261.13570 167.5
[M+CH3COO]- 275.15135 203.5
[M+Na-2H]- 237.11217 154.3
[M]+ 216.13695 138.7
[M]- 216.13805 138.7
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.