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 148.1
[M+Na]+ 241.08036 157.6
[M+NH4]+ 236.12496 156.6
[M+K]+ 257.05430 147.7
[M-H]- 217.08386 149.3
[M+Na-2H]- 239.06581 150.6
[M]+ 218.09059 150.5
[M]- 218.09169 150.5
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