CID 207107

29140-72-5

Structural Information

Molecular Formula
C11H22N2S2
SMILES
CCCCCN1CCN(CC1C)C(=S)S
InChI
InChI=1S/C11H22N2S2/c1-3-4-5-6-12-7-8-13(11(14)15)9-10(12)2/h10H,3-9H2,1-2H3,(H,14,15)
InChIKey
WATRRRTWHCMELE-UHFFFAOYSA-N
Compound name
3-methyl-4-pentylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.12244 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12972 156.9
[M+Na]+ 269.11166 166.3
[M+NH4]+ 264.15626 165.1
[M+K]+ 285.08560 156.2
[M-H]- 245.11516 158.0
[M+Na-2H]- 267.09711 158.7
[M]+ 246.12189 159.4
[M]- 246.12299 159.4
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

No patent data available for this compound.