CID 1084925

15323-69-0

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

CC1=NON=C1CC(=O)O

InChI

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

InChIKey

KTQDLOCXIKPNTI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 41
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	126.2
[M+Na]+	165.02706	136.9
[M+NH4]+	160.07166	132.5
[M+K]+	181.00100	135.7
[M-H]-	141.03056	125.9
[M+Na-2H]-	163.01251	129.9
[M]+	142.03729	127.3
[M]-	142.03839	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe