CID 10034860

139297-55-5

Structural Information

Molecular Formula
C6H7NO4
SMILES
COC(=O)C1=NOC(=C1)CO
InChI
InChI=1S/C6H7NO4/c1-10-6(9)5-2-4(3-8)11-7-5/h2,8H,3H2,1H3
InChIKey
XUDZZTFUHHYXSE-UHFFFAOYSA-N
Compound name
methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

157.0375 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 127.8
[M+Na]+ 180.02672 136.9
[M-H]- 156.03022 130.0
[M+NH4]+ 175.07132 147.3
[M+K]+ 196.00066 137.7
[M+H-H2O]+ 140.03476 122.2
[M+HCOO]- 202.03570 150.5
[M+CH3COO]- 216.05135 170.9
[M+Na-2H]- 178.01217 133.9
[M]+ 157.03695 131.3
[M]- 157.03805 131.3
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