CID 12229467

3,4-dimethoxy-1,2,5-thiadiazole

Structural Information

Molecular Formula
C4H6N2O2S
SMILES
COC1=NSN=C1OC
InChI
InChI=1S/C4H6N2O2S/c1-7-3-4(8-2)6-9-5-3/h1-2H3
InChIKey
JGUPTNIZOBZUON-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

146.015 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02228 124.6
[M+Na]+ 169.00422 135.5
[M-H]- 145.00772 126.7
[M+NH4]+ 164.04882 146.2
[M+K]+ 184.97816 135.1
[M+H-H2O]+ 129.01226 118.5
[M+HCOO]- 191.01320 144.3
[M+CH3COO]- 205.02885 170.8
[M+Na-2H]- 166.98967 128.6
[M]+ 146.01445 130.0
[M]- 146.01555 130.0
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.