CID 123489

5-phenyl-o-anisidine

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)N

InChI

InChI=1S/C13H13NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,14H2,1H3

InChIKey

DTYBRSLINXBXMP-UHFFFAOYSA-N

Compound name

2-methoxy-5-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 531
Patents: 199.09972 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe