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

37
Patents

217.1215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 148.7
[M+Na]+ 240.110718 156.4
[M-H]- 216.114224 151.8
[M+NH4]+ 235.155323 163.2
[M+K]+ 256.084658 152.0
[M+H-H2O]+ 200.118760 134.3
[M+HCOO]- 262.119701 165.3
[M+CH3COO]- 276.135351 200.8
[M+Na-2H]- 238.096166 152.5
[M]+ 217.12095142 139.0
[M]- 217.12204858 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