CID 2413801

84160-41-8

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₄S

SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)O

InChI

InChI=1S/C11H10N2O4S/c1-16-8-4-2-7(3-5-8)10-12-13-11(17-10)18-6-9(14)15/h2-5H,6H2,1H3,(H,14,15)

InChIKey

ZMQTYWWCRZSQQH-UHFFFAOYSA-N

Compound name

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.03613 Da
Monoisotopic Mass: 1.8
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]+	267.043406	155.6
[M+Na]+	289.025348	165.1
[M-H]-	265.028854	160.1
[M+NH4]+	284.069953	169.9
[M+K]+	304.999288	163.1
[M+H-H2O]+	249.033390	148.4
[M+HCOO]-	311.034331	172.0
[M+CH3COO]-	325.049981	190.1
[M+Na-2H]-	287.010796	157.4
[M]+	266.03558142	161.6
[M]-	266.03667858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.