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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 144.6
[M+Na]+ 233.04520 153.8
[M-H]- 209.04870 150.8
[M+NH4]+ 228.08980 163.3
[M+K]+ 249.01914 150.5
[M+H-H2O]+ 193.05324 137.9
[M+HCOO]- 255.05418 164.0
[M+CH3COO]- 269.06983 158.2
[M+Na-2H]- 231.03065 150.3
[M]+ 210.05543 146.1
[M]- 210.05653 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe