CID 2799900

60832-72-6

Structural Information

Molecular Formula
C6H4N2O2
SMILES
C1=CC2=C(NC(=O)O2)N=C1
InChI
InChI=1S/C6H4N2O2/c9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,(H,7,8,9)
InChIKey
OVLXOTUWFLHWQT-UHFFFAOYSA-N
Compound name
3H-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

547
Patents

136.02728 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe