CID 83392482

2253632-66-3

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1CNCCC1C2=NC(=CO2)C(=O)O
InChI
InChI=1S/C9H12N2O3/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,12,13)
InChIKey
YGPIZYCVDOQQBE-UHFFFAOYSA-N
Compound name
2-piperidin-4-yl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 141.8
[M+Na]+ 219.07402 147.3
[M-H]- 195.07752 143.3
[M+NH4]+ 214.11862 156.9
[M+K]+ 235.04796 145.9
[M+H-H2O]+ 179.08206 134.3
[M+HCOO]- 241.08300 157.5
[M+CH3COO]- 255.09865 175.6
[M+Na-2H]- 217.05947 144.8
[M]+ 196.08425 136.8
[M]- 196.08535 136.8
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.