CID 16785211

4-methoxy-3-(pyridin-3-ylmethoxy)aniline

Structural Information

Molecular Formula
C13H14N2O2
SMILES
COC1=C(C=C(C=C1)N)OCC2=CN=CC=C2
InChI
InChI=1S/C13H14N2O2/c1-16-12-5-4-11(14)7-13(12)17-9-10-3-2-6-15-8-10/h2-8H,9,14H2,1H3
InChIKey
CDQBVEVEFUNMRD-UHFFFAOYSA-N
Compound name
4-methoxy-3-(pyridin-3-ylmethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 150.5
[M+Na]+ 253.09475 158.5
[M-H]- 229.09825 155.7
[M+NH4]+ 248.13935 166.6
[M+K]+ 269.06869 155.3
[M+H-H2O]+ 213.10279 142.1
[M+HCOO]- 275.10373 174.8
[M+CH3COO]- 289.11938 192.2
[M+Na-2H]- 251.08020 157.1
[M]+ 230.10498 151.6
[M]- 230.10608 151.6
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.