CID 42951111

1000933-37-8

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]+ 172.060436 132.4
[M+Na]+ 194.042378 141.1
[M-H]- 170.045884 134.4
[M+NH4]+ 189.086983 151.4
[M+K]+ 210.016318 141.3
[M+H-H2O]+ 154.050420 127.0
[M+HCOO]- 216.051361 153.4
[M+CH3COO]- 230.067011 175.3
[M+Na-2H]- 192.027826 136.3
[M]+ 171.05261142 134.5
[M]- 171.05370858 134.5
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.