CID 23009326

1240527-13-2

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

CC1=NN=C(O1)CC(=O)O

InChI

InChI=1S/C5H6N2O3/c1-3-6-7-4(10-3)2-5(8)9/h2H2,1H3,(H,8,9)

InChIKey

NMZOVEKBDTVUDI-UHFFFAOYSA-N

Compound name

2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 142.03784 Da
Monoisotopic Mass: -0.4
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]+	143.04512	124.8
[M+Na]+	165.02706	134.2
[M-H]-	141.03056	125.6
[M+NH4]+	160.07166	143.5
[M+K]+	181.00100	134.7
[M+H-H2O]+	125.03510	118.5
[M+HCOO]-	187.03604	146.2
[M+CH3COO]-	201.05169	169.2
[M+Na-2H]-	163.01251	131.1
[M]+	142.03729	127.0
[M]-	142.03839	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe