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]+ 156.05899 130.7
[M+Na]+ 178.04093 139.3
[M-H]- 154.04443 132.6
[M+NH4]+ 173.08553 151.1
[M+K]+ 194.01487 137.2
[M+H-H2O]+ 138.04897 123.5
[M+HCOO]- 200.04991 146.3
[M+CH3COO]- 214.06556 143.5
[M+Na-2H]- 176.02638 131.4
[M]+ 155.05116 128.1
[M]- 155.05226 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.