CID 84650501

3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C6H7NO4
SMILES
CC1=C(C(=NO1)CO)C(=O)O
InChI
InChI=1S/C6H7NO4/c1-3-5(6(9)10)4(2-8)7-11-3/h8H,2H2,1H3,(H,9,10)
InChIKey
FYNGPPMFXYGRNW-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0375 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 129.6
[M+Na]+ 180.02672 139.7
[M+NH4]+ 175.07132 135.6
[M+K]+ 196.00066 139.1
[M-H]- 156.03022 129.1
[M+Na-2H]- 178.01217 132.2
[M]+ 157.03695 130.5
[M]- 157.03805 130.5
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.