CID 198564

Nsc191956

Structural Information

Molecular Formula
C10H16N2S4
SMILES
C1C[N+](=C2SCCS2)CC[N+]1=C3SCCS3
InChI
InChI=1S/C10H16N2S4/c1-2-12(10-15-7-8-16-10)4-3-11(1)9-13-5-6-14-9/h1-8H2/q+2
InChIKey
RTMVVRIQWDAVLG-UHFFFAOYSA-N
Compound name
1,4-bis(1,3-dithiolan-2-ylidene)piperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

292.01962 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.026896 159.0
[M+Na]+ 315.008838 165.2
[M-H]- 291.012344 163.5
[M+NH4]+ 310.053443 174.5
[M+K]+ 330.982778 149.3
[M+H-H2O]+ 275.016880 159.0
[M+HCOO]- 337.017821 155.2
[M+CH3COO]- 351.033471 182.4
[M+Na-2H]- 312.994286 157.7
[M]+ 292.01907142 145.7
[M]- 292.02016858 145.7
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.