CID 2764163

66046-42-2

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
C1=CC(=CC=C1C2=NOC(=C2)CN)Cl
InChI
InChI=1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5H,6,12H2
InChIKey
TWDAWKIAUQCSLF-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

208.04034 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 142.0
[M+Na]+ 231.02956 156.5
[M+NH4]+ 226.07416 151.1
[M+K]+ 247.00350 151.2
[M-H]- 207.03306 147.5
[M+Na-2H]- 229.01501 150.3
[M]+ 208.03979 146.0
[M]- 208.04089 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe