CID 3046355

2,3-dihydrobenzimidazo(1,2-b)oxazole-2-carboxylic acid potassium salt

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1C(OC2=NC3=CC=CC=C3N21)C(=O)O
InChI
InChI=1S/C10H8N2O3/c13-9(14)8-5-12-7-4-2-1-3-6(7)11-10(12)15-8/h1-4,8H,5H2,(H,13,14)
InChIKey
UBRACLZALYZCCC-UHFFFAOYSA-N
Compound name
1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 139.2
[M+Na]+ 227.04272 150.0
[M-H]- 203.04622 142.5
[M+NH4]+ 222.08732 159.4
[M+K]+ 243.01666 148.3
[M+H-H2O]+ 187.05076 133.5
[M+HCOO]- 249.05170 159.5
[M+CH3COO]- 263.06735 153.1
[M+Na-2H]- 225.02817 145.1
[M]+ 204.05295 142.3
[M]- 204.05405 142.3
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

No patent data available for this compound.