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: 58
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]+	143.045116	124.8
[M+Na]+	165.027058	134.2
[M-H]-	141.030564	125.6
[M+NH4]+	160.071663	143.5
[M+K]+	181.000998	134.7
[M+H-H2O]+	125.035100	118.5
[M+HCOO]-	187.036041	146.2
[M+CH3COO]-	201.051691	169.2
[M+Na-2H]-	163.012506	131.1
[M]+	142.03729142	127.0
[M]-	142.03838858	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe