CID 4962137

56674-48-7

Structural Information

Molecular Formula
C6H7NO4
SMILES
CC1=CC(=NO1)OCC(=O)O
InChI
InChI=1S/C6H7NO4/c1-4-2-5(7-11-4)10-3-6(8)9/h2H,3H2,1H3,(H,8,9)
InChIKey
GAMRWZRZSQLJTA-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

157.0375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 129.3
[M+Na]+ 180.02672 139.6
[M+NH4]+ 175.07132 135.7
[M+K]+ 196.00066 138.4
[M-H]- 156.03022 129.3
[M+Na-2H]- 178.01217 132.8
[M]+ 157.03695 130.4
[M]- 157.03805 130.4
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