CID 201246

1-piperazinecarbodithioic acid, 4-butyl-, sodium salt, hydrate

Structural Information

Molecular Formula
C9H18N2S2
SMILES
CCCCN1CCN(CC1)C(=S)S
InChI
InChI=1S/C9H18N2S2/c1-2-3-4-10-5-7-11(8-6-10)9(12)13/h2-8H2,1H3,(H,12,13)
InChIKey
IXEMKVFCJRLIGI-UHFFFAOYSA-N
Compound name
4-butylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.09114 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09842 145.8
[M+Na]+ 241.08036 151.5
[M-H]- 217.08386 145.5
[M+NH4]+ 236.12496 162.4
[M+K]+ 257.05430 147.6
[M+H-H2O]+ 201.08840 139.1
[M+HCOO]- 263.08934 151.7
[M+CH3COO]- 277.10499 186.9
[M+Na-2H]- 239.06581 143.6
[M]+ 218.09059 144.4
[M]- 218.09169 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe