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

29
Patents

192.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.6
[M+Na]+ 215.042718 145.7
[M-H]- 191.046224 141.3
[M+NH4]+ 210.087323 153.8
[M+K]+ 231.016658 144.7
[M+H-H2O]+ 175.050760 130.0
[M+HCOO]- 237.051701 157.8
[M+CH3COO]- 251.067351 177.4
[M+Na-2H]- 213.028166 143.1
[M]+ 192.05295142 137.3
[M]- 192.05404858 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