CID 101402

4-(4-methoxyphenoxy)aniline

Structural Information

Molecular Formula
C13H13NO2
SMILES
COC1=CC=C(C=C1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C13H13NO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9H,14H2,1H3
InChIKey
VTYZDTAGEMAJMM-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

306
Patents

215.09464 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 145.9
[M+Na]+ 238.08386 153.9
[M-H]- 214.08736 152.7
[M+NH4]+ 233.12846 164.1
[M+K]+ 254.05780 151.0
[M+H-H2O]+ 198.09190 138.6
[M+HCOO]- 260.09284 171.6
[M+CH3COO]- 274.10849 189.6
[M+Na-2H]- 236.06931 152.5
[M]+ 215.09409 146.6
[M]- 215.09519 146.6
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