CID 82651879

2-(pyrrolidin-2-yl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C6H9N3S
SMILES
C1CC(NC1)C2=NN=CS2
InChI
InChI=1S/C6H9N3S/c1-2-5(7-3-1)6-9-8-4-10-6/h4-5,7H,1-3H2
InChIKey
VUKRYBZSEXJSLP-UHFFFAOYSA-N
Compound name
2-pyrrolidin-2-yl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05171 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05899 131.3
[M+Na]+ 178.04093 141.3
[M+NH4]+ 173.08553 139.9
[M+K]+ 194.01487 137.3
[M-H]- 154.04443 132.6
[M+Na-2H]- 176.02638 136.5
[M]+ 155.05116 133.2
[M]- 155.05226 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.