CID 211583

2-(o-toluidino)-2-oxazoline

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC1=CC=CC=C1NC2=NCCO2

InChI

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

InChIKey

QLOGFFCTOGPFIU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 176.09496 Da
Monoisotopic Mass: 1.6
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]+	177.102236	136.2
[M+Na]+	199.084178	143.7
[M-H]-	175.087684	142.4
[M+NH4]+	194.128783	155.2
[M+K]+	215.058118	142.4
[M+H-H2O]+	159.092220	128.9
[M+HCOO]-	221.093161	160.4
[M+CH3COO]-	235.108811	150.0
[M+Na-2H]-	197.069626	143.4
[M]+	176.09441142	135.4
[M]-	176.09550858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe