CID 3064477

1-(1,3-dithiol-2-ylidene)-4-methylpiperazinium perchlorate

Structural Information

Molecular Formula
C8H13N2S2
SMILES
CN1CC[N+](=C2SC=CS2)CC1
InChI
InChI=1S/C8H13N2S2/c1-9-2-4-10(5-3-9)8-11-6-7-12-8/h6-7H,2-5H2,1H3/q+1
InChIKey
AHNZLMHVHMGAOZ-UHFFFAOYSA-N
Compound name
1-(1,3-dithiol-2-ylidene)-4-methylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

201.05202 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05930 137.7
[M+Na]+ 224.04124 146.3
[M-H]- 200.04474 142.0
[M+NH4]+ 219.08584 156.8
[M+K]+ 240.01518 137.0
[M+H-H2O]+ 184.04928 134.0
[M+HCOO]- 246.05022 147.7
[M+CH3COO]- 260.06587 172.5
[M+Na-2H]- 222.02669 139.4
[M]+ 201.05147 133.8
[M]- 201.05257 133.8
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.