CID 64169439

2377035-77-1

Structural Information

Molecular Formula
C5H6N2O3S
SMILES
CSCC1=NC(=NO1)C(=O)O
InChI
InChI=1S/C5H6N2O3S/c1-11-2-3-6-4(5(8)9)7-10-3/h2H2,1H3,(H,8,9)
InChIKey
HKVFGWJREFXCRP-UHFFFAOYSA-N
Compound name
5-(methylsulfanylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00992 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01720 135.0
[M+Na]+ 196.99914 145.1
[M+NH4]+ 192.04374 141.5
[M+K]+ 212.97308 141.6
[M-H]- 173.00264 134.9
[M+Na-2H]- 194.98459 137.5
[M]+ 174.00937 136.5
[M]- 174.01047 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.