CID 20526968

Lithium(1+) ion 2-(1,3,4-oxadiazol-2-yl)acetate

Structural Information

Molecular Formula

C₄H₄N₂O₃

SMILES

C1=NN=C(O1)CC(=O)O

InChI

InChI=1S/C4H4N2O3/c7-4(8)1-3-6-5-2-9-3/h2H,1H2,(H,7,8)

InChIKey

ULWQCKFXIGLLKA-UHFFFAOYSA-N

Compound name

2-(1,3,4-oxadiazol-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 128.02219 Da
Monoisotopic Mass: -0.8
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]+	129.02947	122.0
[M+Na]+	151.01141	132.5
[M+NH4]+	146.05601	128.4
[M+K]+	166.98535	131.4
[M-H]-	127.01491	121.6
[M+Na-2H]-	148.99686	126.2
[M]+	128.02164	123.0
[M]-	128.02274	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe