CID 6451667

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

Structural Information

Molecular Formula
C6H10N2S
SMILES
CCC1=NN=C(S1)CC
InChI
InChI=1S/C6H10N2S/c1-3-5-7-8-6(4-2)9-5/h3-4H2,1-2H3
InChIKey
BXVZVOBTUSLCIO-UHFFFAOYSA-N
Compound name
2,5-diethyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

142.05647 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.063746 126.8
[M+Na]+ 165.045688 137.2
[M-H]- 141.049194 128.6
[M+NH4]+ 160.090293 148.8
[M+K]+ 181.019628 135.5
[M+H-H2O]+ 125.053730 120.7
[M+HCOO]- 187.054671 145.4
[M+CH3COO]- 201.070321 172.9
[M+Na-2H]- 163.031136 129.7
[M]+ 142.05592142 130.1
[M]- 142.05701858 130.1
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