CID 134439218

2248349-30-4

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CC(CCC1N)(C#N)C2=CC=CC=N2
InChI
InChI=1S/C12H15N3/c13-9-12(6-4-10(14)5-7-12)11-3-1-2-8-15-11/h1-3,8,10H,4-7,14H2
InChIKey
AJMYFWXAADWXFP-UHFFFAOYSA-N
Compound name
4-amino-1-pyridin-2-ylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.1266 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 147.4
[M+Na]+ 224.115818 155.6
[M-H]- 200.119324 150.7
[M+NH4]+ 219.160423 164.2
[M+K]+ 240.089758 150.1
[M+H-H2O]+ 184.123860 133.5
[M+HCOO]- 246.124801 163.9
[M+CH3COO]- 260.140451 157.5
[M+Na-2H]- 222.101266 152.6
[M]+ 201.12605142 136.4
[M]- 201.12714858 136.4
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