CID 4603983

415679-26-4

Structural Information

Molecular Formula
C11H10N2O4
SMILES
COC1=CC=CC=C1C2=NN=C(O2)CC(=O)O
InChI
InChI=1S/C11H10N2O4/c1-16-8-5-3-2-4-7(8)11-13-12-9(17-11)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
FGRUPOMYGQEIFT-UHFFFAOYSA-N
Compound name
2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

234.06406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.071336 147.9
[M+Na]+ 257.053278 156.9
[M-H]- 233.056784 152.1
[M+NH4]+ 252.097883 162.7
[M+K]+ 273.027218 155.8
[M+H-H2O]+ 217.061320 140.1
[M+HCOO]- 279.062261 169.1
[M+CH3COO]- 293.077911 186.4
[M+Na-2H]- 255.038726 152.7
[M]+ 234.06351142 151.7
[M]- 234.06460858 151.7
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

No patent data available for this compound.