CID 18331929

3-(1,2-oxazol-3-yl)propanoic acid

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1=CON=C1CCC(=O)O
InChI
InChI=1S/C6H7NO3/c8-6(9)2-1-5-3-4-10-7-5/h3-4H,1-2H2,(H,8,9)
InChIKey
VIQGTOBLWCFKHL-UHFFFAOYSA-N
Compound name
3-(1,2-oxazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

141.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 125.5
[M+Na]+ 164.031808 133.6
[M-H]- 140.035314 127.3
[M+NH4]+ 159.076413 145.3
[M+K]+ 180.005748 134.0
[M+H-H2O]+ 124.039850 119.8
[M+HCOO]- 186.040791 147.9
[M+CH3COO]- 200.056441 168.3
[M+Na-2H]- 162.017256 132.2
[M]+ 141.04204142 127.2
[M]- 141.04313858 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe