CID 11287459

204067-12-9

Structural Information

Molecular Formula
C13H20N2O
SMILES
COC1=CN=C(C=C1)C2(CCCCC2)CN
InChI
InChI=1S/C13H20N2O/c1-16-11-5-6-12(15-9-11)13(10-14)7-3-2-4-8-13/h5-6,9H,2-4,7-8,10,14H2,1H3
InChIKey
LUDJVLROGRFBSF-UHFFFAOYSA-N
Compound name
[1-(5-methoxypyridin-2-yl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 151.7
[M+Na]+ 243.14678 156.7
[M-H]- 219.15028 155.8
[M+NH4]+ 238.19138 169.8
[M+K]+ 259.12072 153.9
[M+H-H2O]+ 203.15482 143.8
[M+HCOO]- 265.15576 171.5
[M+CH3COO]- 279.17141 189.5
[M+Na-2H]- 241.13223 157.0
[M]+ 220.15701 147.1
[M]- 220.15811 147.1
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