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
7
Annotation Hits

120
References

3129
Patents

162.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 131.7
[M+Na]+ 185.068538 139.6
[M-H]- 161.072044 137.5
[M+NH4]+ 180.113143 150.9
[M+K]+ 201.042478 138.2
[M+H-H2O]+ 145.076580 124.6
[M+HCOO]- 207.077521 155.6
[M+CH3COO]- 221.093171 145.6
[M+Na-2H]- 183.053986 138.4
[M]+ 162.07877142 129.6
[M]- 162.07986858 129.6
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