CID 17229122

4-(3-chlorophenyl)-3-methyl-2,5-dihydro-1,2-oxazol-5-imine

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC1=NOC(=C1C2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C10H9ClN2O/c1-6-9(10(12)14-13-6)7-3-2-4-8(11)5-7/h2-5H,12H2,1H3
InChIKey
FPZYVCHIGUSBEM-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-3-methyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04034 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 143.3
[M+Na]+ 231.02956 154.4
[M-H]- 207.03306 149.8
[M+NH4]+ 226.07416 162.2
[M+K]+ 247.00350 150.6
[M+H-H2O]+ 191.03760 137.0
[M+HCOO]- 253.03854 163.5
[M+CH3COO]- 267.05419 157.6
[M+Na-2H]- 229.01501 148.3
[M]+ 208.03979 145.8
[M]- 208.04089 145.8
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

No patent data available for this compound.