CID 207096

1-piperazinecarbodithioic acid, 4-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C7H14N2OS2
SMILES
C1CN(CCN1CCO)C(=S)S
InChI
InChI=1S/C7H14N2OS2/c10-6-5-8-1-3-9(4-2-8)7(11)12/h10H,1-6H2,(H,11,12)
InChIKey
NQASZTLVADFMEH-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)piperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

206.05475 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06203 141.5
[M+Na]+ 229.04397 147.4
[M-H]- 205.04747 140.1
[M+NH4]+ 224.08857 157.8
[M+K]+ 245.01791 143.5
[M+H-H2O]+ 189.05201 135.3
[M+HCOO]- 251.05295 146.8
[M+CH3COO]- 265.06860 180.4
[M+Na-2H]- 227.02942 140.0
[M]+ 206.05420 139.0
[M]- 206.05530 139.0
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