CID 2795393

1,2,4,5-tetrazinane-3,6-dithione

Structural Information

Molecular Formula
C2H4N4S2
SMILES
C1(=S)NNC(=S)NN1
InChI
InChI=1S/C2H4N4S2/c7-1-3-5-2(8)6-4-1/h(H2,3,4,7)(H2,5,6,8)
InChIKey
HHSAQSIIYVKIOL-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrazinane-3,6-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

147.98773 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99501 126.6
[M+Na]+ 170.97695 134.5
[M-H]- 146.98045 119.1
[M+NH4]+ 166.02155 140.5
[M+K]+ 186.95089 127.0
[M+H-H2O]+ 130.98499 121.3
[M+HCOO]- 192.98593 127.7
[M+CH3COO]- 207.00158 135.5
[M+Na-2H]- 168.96240 126.5
[M]+ 147.98718 116.6
[M]- 147.98828 116.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe