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 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

literature stripe

Patent stripe

patents stripe