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

25
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 137.6
[M+Na]+ 215.04272 145.7
[M-H]- 191.04622 141.3
[M+NH4]+ 210.08732 153.8
[M+K]+ 231.01666 144.7
[M+H-H2O]+ 175.05076 130.0
[M+HCOO]- 237.05170 157.8
[M+CH3COO]- 251.06735 177.4
[M+Na-2H]- 213.02817 143.1
[M]+ 192.05295 137.3
[M]- 192.05405 137.3
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

patents stripe