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]+ 202.13388 147.4
[M+Na]+ 224.11582 155.6
[M-H]- 200.11932 150.7
[M+NH4]+ 219.16042 164.2
[M+K]+ 240.08976 150.1
[M+H-H2O]+ 184.12386 133.5
[M+HCOO]- 246.12480 163.9
[M+CH3COO]- 260.14045 157.5
[M+Na-2H]- 222.10127 152.6
[M]+ 201.12605 136.4
[M]- 201.12715 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