CID 13688374

3-(pyridin-3-ylmethoxy)aniline

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1=CC(=CC(=C1)OCC2=CN=CC=C2)N
InChI
InChI=1S/C12H12N2O/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8H,9,13H2
InChIKey
OBYWDUCMQAJQHD-UHFFFAOYSA-N
Compound name
3-(pyridin-3-ylmethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

200.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 143.5
[M+Na]+ 223.08418 158.0
[M+NH4]+ 218.12878 152.5
[M+K]+ 239.05812 150.3
[M-H]- 199.08768 148.5
[M+Na-2H]- 221.06963 153.9
[M]+ 200.09441 147.0
[M]- 200.09551 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe