CID 16783085

953750-69-1

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC(C1=CC(=CC=C1)OCC2=CC=CC=N2)N
InChI
InChI=1S/C14H16N2O/c1-11(15)12-5-4-7-14(9-12)17-10-13-6-2-3-8-16-13/h2-9,11H,10,15H2,1H3
InChIKey
CDADKDUGURSPFG-UHFFFAOYSA-N
Compound name
1-[3-(pyridin-2-ylmethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 152.2
[M+Na]+ 251.11549 158.6
[M-H]- 227.11899 156.9
[M+NH4]+ 246.16009 168.1
[M+K]+ 267.08943 155.1
[M+H-H2O]+ 211.12353 143.7
[M+HCOO]- 273.12447 174.9
[M+CH3COO]- 287.14012 192.9
[M+Na-2H]- 249.10094 157.8
[M]+ 228.12572 151.3
[M]- 228.12682 151.3
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.