CID 2763697

Isoxazolo[5,4-b]pyridin-3-amine

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=CC2=C(N=C1)ON=C2N
InChI
InChI=1S/C6H5N3O/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H2,7,9)
InChIKey
NIHLEQFZWNKMEY-UHFFFAOYSA-N
Compound name
[1,2]oxazolo[5,4-b]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

135.04326 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 121.4
[M+Na]+ 158.03248 135.1
[M+NH4]+ 153.07708 130.2
[M+K]+ 174.00642 131.6
[M-H]- 134.03598 124.5
[M+Na-2H]- 156.01793 128.6
[M]+ 135.04271 124.1
[M]- 135.04381 124.1
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