CID 16228481

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

Structural Information

Molecular Formula
C6H8N2O3S
SMILES
CC1=NC(=NO1)CSCC(=O)O
InChI
InChI=1S/C6H8N2O3S/c1-4-7-5(8-11-4)2-12-3-6(9)10/h2-3H2,1H3,(H,9,10)
InChIKey
IJSJYNJJRJDZNN-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02556 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03284 139.3
[M+Na]+ 211.01478 149.2
[M+NH4]+ 206.05938 145.7
[M+K]+ 226.98872 145.5
[M-H]- 187.01828 139.1
[M+Na-2H]- 209.00023 141.6
[M]+ 188.02501 140.8
[M]- 188.02611 140.8
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.