CID 13734417

2-methoxy-5-(pyridin-4-yl)aniline

Structural Information

Molecular Formula
C12H12N2O
SMILES
COC1=C(C=C(C=C1)C2=CC=NC=C2)N
InChI
InChI=1S/C12H12N2O/c1-15-12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-8H,13H2,1H3
InChIKey
FBAWXJMSEFDNOH-UHFFFAOYSA-N
Compound name
2-methoxy-5-pyridin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

200.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 142.8
[M+Na]+ 223.084178 151.4
[M-H]- 199.087684 148.2
[M+NH4]+ 218.128783 160.2
[M+K]+ 239.058118 147.8
[M+H-H2O]+ 183.092220 134.9
[M+HCOO]- 245.093161 167.2
[M+CH3COO]- 259.108811 187.1
[M+Na-2H]- 221.069626 150.0
[M]+ 200.09441142 142.2
[M]- 200.09550858 142.2
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

patents stripe