CID 98715

O-toluidine, 6-chloro-n-(2-oxazolin-2-yl)-

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

CC1=C(C(=CC=C1)Cl)NC2=NCCO2

InChI

InChI=1S/C10H11ClN2O/c1-7-3-2-4-8(11)9(7)13-10-12-5-6-14-10/h2-4H,5-6H2,1H3,(H,12,13)

InChIKey

KLPYCRGYJMWSFW-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.05598 Da
Monoisotopic Mass: 2.3
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]+	211.063256	144.6
[M+Na]+	233.045198	153.8
[M-H]-	209.048704	150.8
[M+NH4]+	228.089803	163.3
[M+K]+	249.019138	150.5
[M+H-H2O]+	193.053240	137.9
[M+HCOO]-	255.054181	164.0
[M+CH3COO]-	269.069831	158.2
[M+Na-2H]-	231.030646	150.3
[M]+	210.05543142	146.1
[M]-	210.05652858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe