CID 2759566

3-(2-methoxyphenyl)aniline

Structural Information

Molecular Formula
C13H13NO
SMILES
COC1=CC=CC=C1C2=CC(=CC=C2)N
InChI
InChI=1S/C13H13NO/c1-15-13-8-3-2-7-12(13)10-5-4-6-11(14)9-10/h2-9H,14H2,1H3
InChIKey
STGKTIFPGDMGOG-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

199.09972 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 143.5
[M+Na]+ 222.08894 158.5
[M+NH4]+ 217.13354 153.2
[M+K]+ 238.06288 150.5
[M-H]- 198.09244 149.5
[M+Na-2H]- 220.07439 154.0
[M]+ 199.09917 147.5
[M]- 199.10027 147.5
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