CID 24703886

1016812-22-8

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CCC(CC1)OC2=C(C=CC=N2)C#N
InChI
InChI=1S/C12H14N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2
InChIKey
VVMPGKGYTJRBCO-UHFFFAOYSA-N
Compound name
2-cyclohexyloxypyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.11061 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 143.5
[M+Na]+ 225.099828 151.3
[M-H]- 201.103334 146.8
[M+NH4]+ 220.144433 158.9
[M+K]+ 241.073768 146.8
[M+H-H2O]+ 185.107870 129.1
[M+HCOO]- 247.108811 159.8
[M+CH3COO]- 261.124461 195.9
[M+Na-2H]- 223.085276 148.6
[M]+ 202.11006142 135.0
[M]- 202.11115858 135.0
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