CID 3032930

2-piperazinoethyldithiocarbamic acid

Structural Information

Molecular Formula
C7H15N3S2
SMILES
C1CN(CCN1)CCNC(=S)S
InChI
InChI=1S/C7H15N3S2/c11-7(12)9-3-6-10-4-1-8-2-5-10/h8H,1-6H2,(H2,9,11,12)
InChIKey
HDEIZYCKHOUEEH-UHFFFAOYSA-N
Compound name
2-piperazin-1-ylethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

205.07074 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07802 141.2
[M+Na]+ 228.05996 145.6
[M-H]- 204.06346 139.2
[M+NH4]+ 223.10456 156.9
[M+K]+ 244.03390 140.9
[M+H-H2O]+ 188.06800 134.4
[M+HCOO]- 250.06894 147.2
[M+CH3COO]- 264.08459 182.0
[M+Na-2H]- 226.04541 141.0
[M]+ 205.07019 136.2
[M]- 205.07129 136.2
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