CID 555980

3-(pyridin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1C(ON=C1C2=CN=CC=C2)C(=O)O
InChI
InChI=1S/C9H8N2O3/c12-9(13)8-4-7(11-14-8)6-2-1-3-10-5-6/h1-3,5,8H,4H2,(H,12,13)
InChIKey
OEHCYRZYVZKUGM-UHFFFAOYSA-N
Compound name
3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

192.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 138.9
[M+Na]+ 215.04272 150.9
[M+NH4]+ 210.08732 145.7
[M+K]+ 231.01666 148.6
[M-H]- 191.04622 141.2
[M+Na-2H]- 213.02817 145.0
[M]+ 192.05295 141.0
[M]- 192.05405 141.0
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