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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.07134	147.9
[M+Na]+	257.05328	156.9
[M-H]-	233.05678	152.1
[M+NH4]+	252.09788	162.7
[M+K]+	273.02722	155.8
[M+H-H2O]+	217.06132	140.1
[M+HCOO]-	279.06226	169.1
[M+CH3COO]-	293.07791	186.4
[M+Na-2H]-	255.03873	152.7
[M]+	234.06351	151.7
[M]-	234.06461	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.