CID 19621378

1-[4-(pyridin-3-yloxy)phenyl]ethan-1-amine

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC(C1=CC=C(C=C1)OC2=CN=CC=C2)N
InChI
InChI=1S/C13H14N2O/c1-10(14)11-4-6-12(7-5-11)16-13-3-2-8-15-9-13/h2-10H,14H2,1H3
InChIKey
MSFDAKMISBBZMK-UHFFFAOYSA-N
Compound name
1-(4-pyridin-3-yloxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 147.6
[M+Na]+ 237.09983 154.5
[M-H]- 213.10333 152.5
[M+NH4]+ 232.14443 164.1
[M+K]+ 253.07377 151.2
[M+H-H2O]+ 197.10787 139.4
[M+HCOO]- 259.10881 170.7
[M+CH3COO]- 273.12446 189.9
[M+Na-2H]- 235.08528 153.8
[M]+ 214.11006 146.3
[M]- 214.11116 146.3
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.