CID 65351

Pyrrolidine dithiocarbamate

Structural Information

Molecular Formula
C5H9NS2
SMILES
C1CCN(C1)C(=S)S
InChI
InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)
InChIKey
VSWDORGPIHIGNW-UHFFFAOYSA-N
Compound name
pyrrolidine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1270
References

4189
Patents

147.01764 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.024916 128.4
[M+Na]+ 170.006858 136.4
[M-H]- 146.010364 130.7
[M+NH4]+ 165.051463 151.0
[M+K]+ 185.980798 134.2
[M+H-H2O]+ 130.014900 123.3
[M+HCOO]- 192.015841 139.0
[M+CH3COO]- 206.031491 171.2
[M+Na-2H]- 167.992306 127.0
[M]+ 147.01709142 127.3
[M]- 147.01818858 127.3
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