CID 16490802

934156-84-0

Structural Information

Molecular Formula
C7H9NO4
SMILES
CC1=C(C(=NO1)C(=O)O)COC
InChI
InChI=1S/C7H9NO4/c1-4-5(3-11-2)6(7(9)10)8-12-4/h3H2,1-2H3,(H,9,10)
InChIKey
CRBKTECADDKUPY-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.05316 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 133.5
[M+Na]+ 194.04238 143.9
[M+NH4]+ 189.08698 139.7
[M+K]+ 210.01632 142.7
[M-H]- 170.04588 133.5
[M+Na-2H]- 192.02783 136.5
[M]+ 171.05261 134.6
[M]- 171.05371 134.6
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

patents stripe