CID 11286490

[1,2]oxazolo[5,4-c]pyridin-3-ol

Structural Information

Molecular Formula
C6H4N2O2
SMILES
C1=CN=CC2=C1C(=O)NO2
InChI
InChI=1S/C6H4N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h1-3H,(H,8,9)
InChIKey
CRAFYPVJLKTWET-UHFFFAOYSA-N
Compound name
[1,2]oxazolo[5,4-c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

136.02728 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03456 119.3
[M+Na]+ 159.01650 131.4
[M-H]- 135.02000 121.6
[M+NH4]+ 154.06110 139.6
[M+K]+ 174.99044 129.6
[M+H-H2O]+ 119.02454 113.2
[M+HCOO]- 181.02548 142.6
[M+CH3COO]- 195.04113 134.7
[M+Na-2H]- 157.00195 130.3
[M]+ 136.02673 121.5
[M]- 136.02783 121.5
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