CID 66993527

2230803-18-4

Structural Information

Molecular Formula

C₅H₆N₂O₄

SMILES

COCC1=NOC(=N1)C(=O)O

InChI

InChI=1S/C5H6N2O4/c1-10-2-3-6-4(5(8)9)11-7-3/h2H2,1H3,(H,8,9)

InChIKey

GUKUWPKZHJMRJT-UHFFFAOYSA-N

Compound name

3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 158.03276 Da
Monoisotopic Mass: -0.3
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]+	159.04004	129.3
[M+Na]+	181.02198	139.5
[M+NH4]+	176.06658	134.9
[M+K]+	196.99592	138.8
[M-H]-	157.02548	128.4
[M+Na-2H]-	179.00743	132.5
[M]+	158.03221	130.0
[M]-	158.03331	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe