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

90
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

literature stripe

Patent stripe

patents stripe