CID 2759564

4-amino-4'-methoxybiphenyl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

199.09972 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe