CID 28605427

861673-68-9

Structural Information

Molecular Formula

C₁₅H₁₈N₂O

SMILES

CC(C)(C)C1=CC=CC=C1OC2=C(C=CC=N2)N

InChI

InChI=1S/C15H18N2O/c1-15(2,3)11-7-4-5-9-13(11)18-14-12(16)8-6-10-17-14/h4-10H,16H2,1-3H3

InChIKey

WPGHJCCTOPOERH-UHFFFAOYSA-N

Compound name

2-(2-tert-butylphenoxy)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 242.1419 Da
Monoisotopic Mass: 3.7
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]+	243.14918	157.4
[M+Na]+	265.13112	165.1
[M-H]-	241.13462	162.7
[M+NH4]+	260.17572	173.3
[M+K]+	281.10506	161.4
[M+H-H2O]+	225.13916	149.5
[M+HCOO]-	287.14010	179.2
[M+CH3COO]-	301.15575	195.9
[M+Na-2H]-	263.11657	163.6
[M]+	242.14135	157.3
[M]-	242.14245	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe