CID 3003140

Pyrrolidin-1-yl carbamodithioate

Structural Information

Molecular Formula
C5H10N2S2
SMILES
C1CCN(C1)SC(=S)N
InChI
InChI=1S/C5H10N2S2/c6-5(8)9-7-3-1-2-4-7/h1-4H2,(H2,6,8)
InChIKey
LGIWQUXJCCGZOC-UHFFFAOYSA-N
Compound name
pyrrolidin-1-yl carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

162.02853 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03581 132.1
[M+Na]+ 185.01775 139.1
[M-H]- 161.02125 133.4
[M+NH4]+ 180.06235 153.3
[M+K]+ 200.99169 136.0
[M+H-H2O]+ 145.02579 126.3
[M+HCOO]- 207.02673 142.8
[M+CH3COO]- 221.04238 175.1
[M+Na-2H]- 183.00320 130.4
[M]+ 162.02798 129.1
[M]- 162.02908 129.1
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