CID 12717854

19790-96-6

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CN=CC=C1C2=NOC(=C2)N
InChI
InChI=1S/C8H7N3O/c9-8-5-7(11-12-8)6-1-3-10-4-2-6/h1-5H,9H2
InChIKey
BXJIHGSHLZBSFO-UHFFFAOYSA-N
Compound name
3-pyridin-4-yl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

161.05891 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 129.9
[M+Na]+ 184.048128 139.3
[M-H]- 160.051634 134.8
[M+NH4]+ 179.092733 147.9
[M+K]+ 200.022068 137.7
[M+H-H2O]+ 144.056170 122.0
[M+HCOO]- 206.057111 154.2
[M+CH3COO]- 220.072761 144.1
[M+Na-2H]- 182.033576 138.1
[M]+ 161.05836142 129.4
[M]- 161.05945858 129.4
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