CID 53781217

3-(methoxymethyl)-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C6H7NO4
SMILES
COCC1=NOC=C1C(=O)O
InChI
InChI=1S/C6H7NO4/c1-10-3-5-4(6(8)9)2-11-7-5/h2H,3H2,1H3,(H,8,9)
InChIKey
DVKDIEUKLNFGDG-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

157.0375 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 127.6
[M+Na]+ 180.02672 136.5
[M-H]- 156.03022 129.7
[M+NH4]+ 175.07132 147.0
[M+K]+ 196.00066 137.4
[M+H-H2O]+ 140.03476 122.0
[M+HCOO]- 202.03570 150.2
[M+CH3COO]- 216.05135 171.6
[M+Na-2H]- 178.01217 133.7
[M]+ 157.03695 131.1
[M]- 157.03805 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