CID 178244286

2,5-dimethyl-1,3,4-thiadiazole 1-oxide

Structural Information

Molecular Formula
C4H6N2OS
SMILES
CC1=NN=C(S1=O)C
InChI
InChI=1S/C4H6N2OS/c1-3-5-6-4(2)8(3)7/h1-2H3
InChIKey
SIKASQXVBIXOBW-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1,3,4-thiadiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.02008 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.027356 120.6
[M+Na]+ 153.009298 132.8
[M-H]- 129.012804 123.1
[M+NH4]+ 148.053903 143.1
[M+K]+ 168.983238 131.3
[M+H-H2O]+ 113.017340 115.0
[M+HCOO]- 175.018281 140.1
[M+CH3COO]- 189.033931 169.1
[M+Na-2H]- 150.994746 123.8
[M]+ 130.01953142 124.2
[M]- 130.02062858 124.2
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.