CID 33784094

23821-38-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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

No literature data available for this compound.

Patent stripe

patents stripe