CID 2759561

4-(3-methoxyphenyl)aniline

Structural Information

Molecular Formula
C13H13NO
SMILES
COC1=CC=CC(=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H13NO/c1-15-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10/h2-9H,14H2,1H3
InChIKey
OSWFIVFLDKOXQC-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107763
Patents

199.09972 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 142.6
[M+Na]+ 222.08894 150.8
[M-H]- 198.09244 149.4
[M+NH4]+ 217.13354 161.5
[M+K]+ 238.06288 147.2
[M+H-H2O]+ 182.09698 135.6
[M+HCOO]- 244.09792 168.1
[M+CH3COO]- 258.11357 187.5
[M+Na-2H]- 220.07439 149.2
[M]+ 199.09917 141.9
[M]- 199.10027 141.9
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