CID 2794625

3-(benzyloxy)-4-methylaniline

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

CC1=C(C=C(C=C1)N)OCC2=CC=CC=C2

InChI

InChI=1S/C14H15NO/c1-11-7-8-13(15)9-14(11)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3

InChIKey

TZWRMTAIHRIAFC-UHFFFAOYSA-N

Compound name

4-methyl-3-phenylmethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 213.11537 Da
Monoisotopic Mass: 3.1
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]+	214.12265	148.1
[M+Na]+	236.10459	162.9
[M+NH4]+	231.14919	157.7
[M+K]+	252.07853	154.6
[M-H]-	212.10809	154.0
[M+Na-2H]-	234.09004	158.3
[M]+	213.11482	152.0
[M]-	213.11592	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe