CID 20119481

[6-(2-phenoxyethoxy)pyridin-3-yl]methanamine

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C1=CC=C(C=C1)OCCOC2=NC=C(C=C2)CN
InChI
InChI=1S/C14H16N2O2/c15-10-12-6-7-14(16-11-12)18-9-8-17-13-4-2-1-3-5-13/h1-7,11H,8-10,15H2
InChIKey
BPESNUOOYZRCQL-UHFFFAOYSA-N
Compound name
[6-(2-phenoxyethoxy)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 154.7
[M+Na]+ 267.11041 161.2
[M-H]- 243.11391 159.2
[M+NH4]+ 262.15501 169.8
[M+K]+ 283.08435 157.7
[M+H-H2O]+ 227.11845 145.8
[M+HCOO]- 289.11939 178.6
[M+CH3COO]- 303.13504 194.1
[M+Na-2H]- 265.09586 161.5
[M]+ 244.12064 155.7
[M]- 244.12174 155.7
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.