CID 16773053

4-(benzyloxy)-2-methylaniline

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

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

InChI

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

InChIKey

YMZVPMQBIGSBOW-UHFFFAOYSA-N

Compound name

2-methyl-4-phenylmethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 213.11537 Da
Monoisotopic Mass: 2.7
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]+	214.122646	147.3
[M+Na]+	236.104588	155.0
[M-H]-	212.108094	153.8
[M+NH4]+	231.149193	165.6
[M+K]+	252.078528	151.2
[M+H-H2O]+	196.112630	140.0
[M+HCOO]-	258.113571	172.4
[M+CH3COO]-	272.129221	190.5
[M+Na-2H]-	234.090036	153.3
[M]+	213.11482142	146.9
[M]-	213.11591858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe