CID 82651879

1392213-60-3

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]+ 156.058986 130.7
[M+Na]+ 178.040928 139.3
[M-H]- 154.044434 132.6
[M+NH4]+ 173.085533 151.1
[M+K]+ 194.014868 137.2
[M+H-H2O]+ 138.048970 123.5
[M+HCOO]- 200.049911 146.3
[M+CH3COO]- 214.065561 143.5
[M+Na-2H]- 176.026376 131.4
[M]+ 155.05116142 128.1
[M]- 155.05225858 128.1
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.