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]+ 217.144776 150.3
[M+Na]+ 239.126718 157.2
[M-H]- 215.130224 153.2
[M+NH4]+ 234.171323 164.5
[M+K]+ 255.100658 152.4
[M+H-H2O]+ 199.134760 135.7
[M+HCOO]- 261.135701 167.5
[M+CH3COO]- 275.151351 203.5
[M+Na-2H]- 237.112166 154.3
[M]+ 216.13695142 138.7
[M]- 216.13804858 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.