CID 42951111

3-(3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-yl)propanoic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
CC1=NOC(=O)C1CCC(=O)O
InChI
InChI=1S/C7H9NO4/c1-4-5(2-3-6(9)10)7(11)12-8-4/h5H,2-3H2,1H3,(H,9,10)
InChIKey
DEDBUEJPFDYZIE-UHFFFAOYSA-N
Compound name
3-(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 134.4
[M+Na]+ 194.04238 144.0
[M+NH4]+ 189.08698 140.3
[M+K]+ 210.01632 142.9
[M-H]- 170.04588 134.0
[M+Na-2H]- 192.02783 136.4
[M]+ 171.05261 135.2
[M]- 171.05371 135.2
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.