CID 20116242

1016673-84-9

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC1CCC(CC1)OC2=NC=CC(=C2)CN
InChI
InChI=1S/C13H20N2O/c1-10-2-4-12(5-3-10)16-13-8-11(9-14)6-7-15-13/h6-8,10,12H,2-5,9,14H2,1H3
InChIKey
BEMYFGFNLBSDKS-UHFFFAOYSA-N
Compound name
[2-(4-methylcyclohexyl)oxypyridin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 151.8
[M+Na]+ 243.14678 156.7
[M-H]- 219.15028 155.8
[M+NH4]+ 238.19138 168.1
[M+K]+ 259.12072 153.6
[M+H-H2O]+ 203.15482 143.5
[M+HCOO]- 265.15576 171.5
[M+CH3COO]- 279.17141 191.2
[M+Na-2H]- 241.13223 155.3
[M]+ 220.15701 147.2
[M]- 220.15811 147.2
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.