CID 20741615

4,4'-dimethylaminorex

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CC1C(OC(=N1)N)C2=CC=C(C=C2)C

InChI

InChI=1S/C11H14N2O/c1-7-3-5-9(6-4-7)10-8(2)13-11(12)14-10/h3-6,8,10H,1-2H3,(H2,12,13)

InChIKey

NPILLHMQNMXXTL-UHFFFAOYSA-N

Compound name

4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 153
Patents: 190.11061 Da
Monoisotopic Mass: 1.5
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]+	191.11789	141.4
[M+Na]+	213.09983	150.4
[M-H]-	189.10333	147.7
[M+NH4]+	208.14443	160.2
[M+K]+	229.07377	148.4
[M+H-H2O]+	173.10787	134.6
[M+HCOO]-	235.10881	164.6
[M+CH3COO]-	249.12446	185.5
[M+Na-2H]-	211.08528	145.6
[M]+	190.11006	140.9
[M]-	190.11116	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe