CID 178244298

2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophene 1-oxide

Structural Information

Molecular Formula
C7H6N2O2S
SMILES
CC1=NOC(=N1)C2=CC=CS2=O
InChI
InChI=1S/C7H6N2O2S/c1-5-8-7(11-9-5)6-3-2-4-12(6)10/h2-4H,1H3
InChIKey
UDHRYISBXMUKKX-UHFFFAOYSA-N
Compound name
2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophene 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.015 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.022276 133.2
[M+Na]+ 205.004218 145.8
[M-H]- 181.007724 140.0
[M+NH4]+ 200.048823 154.0
[M+K]+ 220.978158 144.9
[M+H-H2O]+ 165.012260 127.6
[M+HCOO]- 227.013201 153.9
[M+CH3COO]- 241.028851 148.8
[M+Na-2H]- 202.989666 135.5
[M]+ 182.01445142 138.5
[M]- 182.01554858 138.5
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.