CID 19374997

95312-32-6

Structural Information

Molecular Formula
C6H7NO4
SMILES
COCC1=CC(=NO1)C(=O)O
InChI
InChI=1S/C6H7NO4/c1-10-3-4-2-5(6(8)9)7-11-4/h2H,3H2,1H3,(H,8,9)
InChIKey
ITLABBGKNGIQTG-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

157.0375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.044776 127.6
[M+Na]+ 180.026718 136.5
[M-H]- 156.030224 129.7
[M+NH4]+ 175.071323 147.0
[M+K]+ 196.000658 137.4
[M+H-H2O]+ 140.034760 122.0
[M+HCOO]- 202.035701 150.2
[M+CH3COO]- 216.051351 171.6
[M+Na-2H]- 178.012166 133.7
[M]+ 157.03695142 131.1
[M]- 157.03804858 131.1
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