CID 62808136

6-[(4-aminocyclohexyl)oxy]pyridine-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CC(CCC1N)OC2=NC=C(C=C2)C#N
InChI
InChI=1S/C12H15N3O/c13-7-9-1-6-12(15-8-9)16-11-4-2-10(14)3-5-11/h1,6,8,10-11H,2-5,14H2
InChIKey
YPULTNFCCDTPKQ-UHFFFAOYSA-N
Compound name
6-(4-aminocyclohexyl)oxypyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

217.1215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 148.7
[M+Na]+ 240.11072 156.4
[M-H]- 216.11422 151.8
[M+NH4]+ 235.15532 163.2
[M+K]+ 256.08466 152.0
[M+H-H2O]+ 200.11876 134.3
[M+HCOO]- 262.11970 165.3
[M+CH3COO]- 276.13535 200.8
[M+Na-2H]- 238.09617 152.5
[M]+ 217.12095 139.0
[M]- 217.12205 139.0
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