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-methoxy-2-pyridinyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

220.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 151.7
[M+Na]+ 243.146778 156.7
[M-H]- 219.150284 155.8
[M+NH4]+ 238.191383 169.8
[M+K]+ 259.120718 153.9
[M+H-H2O]+ 203.154820 143.8
[M+HCOO]- 265.155761 171.5
[M+CH3COO]- 279.171411 189.5
[M+Na-2H]- 241.132226 157.0
[M]+ 220.15701142 147.1
[M]- 220.15810858 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