CID 16630

Aminorex

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1C(OC(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
InChIKey
SYAKTDIEAPMBAL-UHFFFAOYSA-N
Compound name
5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

119
References

2764
Patents

162.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 132.8
[M+Na]+ 185.06854 145.4
[M+NH4]+ 180.11314 141.8
[M+K]+ 201.04248 141.2
[M-H]- 161.07204 138.0
[M+Na-2H]- 183.05399 140.6
[M]+ 162.07877 136.0
[M]- 162.07987 136.0
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