CID 138987655

2305252-38-2

Structural Information

Molecular Formula
C7H9NO4
SMILES
COCC1=CC(=NO1)CC(=O)O
InChI
InChI=1S/C7H9NO4/c1-11-4-6-2-5(8-12-6)3-7(9)10/h2H,3-4H2,1H3,(H,9,10)
InChIKey
QRRSYLNJMKSLHF-UHFFFAOYSA-N
Compound name
2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 133.8
[M+Na]+ 194.04238 143.9
[M+NH4]+ 189.08698 140.0
[M+K]+ 210.01632 142.5
[M-H]- 170.04588 133.7
[M+Na-2H]- 192.02783 137.0
[M]+ 171.05261 134.8
[M]- 171.05371 134.8
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.