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

0
Patents

202.11061 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 143.5
[M+Na]+ 225.09983 151.3
[M-H]- 201.10333 146.8
[M+NH4]+ 220.14443 158.9
[M+K]+ 241.07377 146.8
[M+H-H2O]+ 185.10787 129.1
[M+HCOO]- 247.10881 159.8
[M+CH3COO]- 261.12446 195.9
[M+Na-2H]- 223.08528 148.6
[M]+ 202.11006 135.0
[M]- 202.11116 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

No patent data available for this compound.