CID 67169806

1782872-85-8

Structural Information

Molecular Formula
C6H7NO4
SMILES
C1=C(ON=C1C(=O)O)CCO
InChI
InChI=1S/C6H7NO4/c8-2-1-4-3-5(6(9)10)7-11-4/h3,8H,1-2H2,(H,9,10)
InChIKey
AGUHXUDCDCOTFM-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

157.0375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.044776 128.5
[M+Na]+ 180.026718 137.0
[M-H]- 156.030224 129.2
[M+NH4]+ 175.071323 147.2
[M+K]+ 196.000658 136.9
[M+H-H2O]+ 140.034760 123.0
[M+HCOO]- 202.035701 149.6
[M+CH3COO]- 216.051351 169.1
[M+Na-2H]- 178.012166 134.0
[M]+ 157.03695142 130.1
[M]- 157.03804858 130.1
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