CID 23512750

361394-74-3

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

CNCC1=CC=CC=C1OC2=CC=CC=C2

InChI

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

InChIKey

IMIUMEQDSKHKST-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-phenoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 213.11537 Da
Monoisotopic Mass: 2.8
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	148.3
[M+Na]+	236.10459	163.0
[M+NH4]+	231.14919	158.0
[M+K]+	252.07853	154.3
[M-H]-	212.10809	154.3
[M+Na-2H]-	234.09004	159.2
[M]+	213.11482	152.3
[M]-	213.11592	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe