CID 92196

4-methylaminorex

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

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

InChI

InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)

InChIKey

LJQBMYDFWFGESC-UHFFFAOYSA-N

Compound name

4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 31
References: 309
Patents: 176.09496 Da
Monoisotopic Mass: 1.2
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]+	177.10224	136.6
[M+Na]+	199.08418	145.0
[M-H]-	175.08768	142.7
[M+NH4]+	194.12878	155.6
[M+K]+	215.05812	143.3
[M+H-H2O]+	159.09222	129.6
[M+HCOO]-	221.09316	160.1
[M+CH3COO]-	235.10881	181.2
[M+Na-2H]-	197.06963	142.1
[M]+	176.09441	135.3
[M]-	176.09551	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe