CID 327719

3-(3-methoxy-1,2-oxazol-5-yl)propanoic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
COC1=NOC(=C1)CCC(=O)O
InChI
InChI=1S/C7H9NO4/c1-11-6-4-5(12-8-6)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey
XWBIAAGRBWFOCT-UHFFFAOYSA-N
Compound name
3-(3-methoxy-1,2-oxazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

16
Patents

171.05316 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 132.4
[M+Na]+ 194.042378 140.8
[M-H]- 170.045884 134.3
[M+NH4]+ 189.086983 151.2
[M+K]+ 210.016318 141.5
[M+H-H2O]+ 154.050420 126.5
[M+HCOO]- 216.051361 154.6
[M+CH3COO]- 230.067011 174.6
[M+Na-2H]- 192.027826 137.9
[M]+ 171.05261142 136.2
[M]- 171.05370858 136.2
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