CID 13028086

Dimethyl-1,2,4-thiadiazole

Structural Information

Molecular Formula
C4H6N2S
SMILES
CC1=NSC(=N1)C
InChI
InChI=1S/C4H6N2S/c1-3-5-4(2)7-6-3/h1-2H3
InChIKey
MPBPVACPFBSAFW-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1331
Patents

114.02517 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 117.9
[M+Na]+ 137.01439 129.1
[M-H]- 113.01789 120.0
[M+NH4]+ 132.05899 140.9
[M+K]+ 152.98833 127.9
[M+H-H2O]+ 97.022430 112.1
[M+HCOO]- 159.02337 137.1
[M+CH3COO]- 173.03902 166.9
[M+Na-2H]- 134.99984 121.8
[M]+ 114.02462 120.5
[M]- 114.02572 120.5
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