CID 73378

Usaf pd-10

Structural Information

Molecular Formula
C7H14N2S2
SMILES
C[C@@H]1CN[C@H](CN1C(=S)S)C
InChI
InChI=1S/C7H14N2S2/c1-5-4-9(7(10)11)6(2)3-8-5/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m0/s1
InChIKey
WZGAXFZTASRQJD-NTSWFWBYSA-N
Compound name
(2R,5S)-2,5-dimethylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.05984 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06712 137.5
[M+Na]+ 213.04906 144.5
[M-H]- 189.05256 136.6
[M+NH4]+ 208.09366 154.9
[M+K]+ 229.02300 140.1
[M+H-H2O]+ 173.05710 131.8
[M+HCOO]- 235.05804 142.5
[M+CH3COO]- 249.07369 179.5
[M+Na-2H]- 211.03451 135.2
[M]+ 190.05929 134.1
[M]- 190.06039 134.1
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.