CID 94519

4-(p-tolyloxy)aniline

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)N

InChI

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

InChIKey

VPCGOYHSWIYEMO-UHFFFAOYSA-N

Compound name

4-(4-methylphenoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 584
Patents: 199.09972 Da
Monoisotopic Mass: 2.9
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	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

Literature stripe

literature stripe

Patent stripe

patents stripe