CID 84656673

4-(hydrazinylmethyl)-1lambda6-thiane-1,1-dione hydrochloride

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
C1CS(=O)(=O)CCC1CNN
InChI
InChI=1S/C6H14N2O2S/c7-8-5-6-1-3-11(9,10)4-2-6/h6,8H,1-5,7H2
InChIKey
MMCLGJCINPGJBJ-UHFFFAOYSA-N
Compound name
(1,1-dioxothian-4-yl)methylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0776 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08488 133.4
[M+Na]+ 201.06682 139.4
[M-H]- 177.07032 136.1
[M+NH4]+ 196.11142 154.8
[M+K]+ 217.04076 137.3
[M+H-H2O]+ 161.07486 128.4
[M+HCOO]- 223.07580 151.2
[M+CH3COO]- 237.09145 179.5
[M+Na-2H]- 199.05227 137.6
[M]+ 178.07705 129.8
[M]- 178.07815 129.8
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.