CID 178244329

3-methyl-1,2,4-thiadiazole 1-oxide

Structural Information

Molecular Formula
C3H4N2OS
SMILES
CC1=NS(=O)C=N1
InChI
InChI=1S/C3H4N2OS/c1-3-4-2-7(6)5-3/h2H,1H3
InChIKey
XMSPRYSTOQHFDO-UHFFFAOYSA-N
Compound name
3-methyl-1,2,4-thiadiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

116.00443 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.011706 116.6
[M+Na]+ 138.993648 128.3
[M-H]- 114.997154 118.9
[M+NH4]+ 134.038253 139.4
[M+K]+ 154.967588 127.2
[M+H-H2O]+ 99.001690 110.9
[M+HCOO]- 161.002631 136.5
[M+CH3COO]- 175.018281 165.0
[M+Na-2H]- 136.979096 120.9
[M]+ 116.00388142 119.5
[M]- 116.00497858 119.5
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.