CID 2775267

Pyrrolidine-2-thione

Structural Information

Molecular Formula
C4H7NS
SMILES
C1CC(=S)NC1
InChI
InChI=1S/C4H7NS/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKey
IMWUREPEYPRYOR-UHFFFAOYSA-N
Compound name
pyrrolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1010
Patents

101.02992 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.03720 119.5
[M+Na]+ 124.01914 129.3
[M+NH4]+ 119.06374 129.0
[M+K]+ 139.99308 123.3
[M-H]- 100.02264 120.4
[M+Na-2H]- 122.00459 123.5
[M]+ 101.02937 121.4
[M]- 101.03047 121.4
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