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]+ 201.10224 142.8
[M+Na]+ 223.08418 151.4
[M-H]- 199.08768 148.2
[M+NH4]+ 218.12878 160.2
[M+K]+ 239.05812 147.8
[M+H-H2O]+ 183.09222 134.9
[M+HCOO]- 245.09316 167.2
[M+CH3COO]- 259.10881 187.1
[M+Na-2H]- 221.06963 150.0
[M]+ 200.09441 142.2
[M]- 200.09551 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