CID 211585

23417-37-0

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

CC1=C(C=CC=C1Cl)NC2=NCCO2

InChI

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

InChIKey

PZAXGKHLPUZWAV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.05598 Da
Monoisotopic Mass: 2.2
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]+	211.06326	143.3
[M+Na]+	233.04520	157.2
[M+NH4]+	228.08980	152.5
[M+K]+	249.01914	151.8
[M-H]-	209.04870	148.7
[M+Na-2H]-	231.03065	151.2
[M]+	210.05543	147.1
[M]-	210.05653	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe