CID 3064028

2-(p-methoxybenzylamino)-2-oxazoline

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

COC1=CC=C(C=C1)CNC2=NCCO2

InChI

InChI=1S/C11H14N2O2/c1-14-10-4-2-9(3-5-10)8-13-11-12-6-7-15-11/h2-5H,6-8H2,1H3,(H,12,13)

InChIKey

BTRLNNOHLYYWBM-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 206.10553 Da
Monoisotopic Mass: 1.1
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]+	207.112806	143.7
[M+Na]+	229.094748	150.7
[M-H]-	205.098254	149.7
[M+NH4]+	224.139353	161.4
[M+K]+	245.068688	149.7
[M+H-H2O]+	189.102790	136.1
[M+HCOO]-	251.103731	167.8
[M+CH3COO]-	265.119381	185.2
[M+Na-2H]-	227.080196	150.4
[M]+	206.10498142	144.7
[M]-	206.10607858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe