CID 3033264

63870-03-1

Structural Information

Molecular Formula
C7H14N2S2
SMILES
CNC1CCC1CSC(=S)N
InChI
InChI=1S/C7H14N2S2/c1-9-6-3-2-5(6)4-11-7(8)10/h5-6,9H,2-4H2,1H3,(H2,8,10)
InChIKey
YKJINQAWWMZENP-UHFFFAOYSA-N
Compound name
[2-(methylamino)cyclobutyl]methyl carbamodithioate
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 137.0
[M+Na]+ 213.04906 139.2
[M-H]- 189.05256 138.4
[M+NH4]+ 208.09366 149.1
[M+K]+ 229.02300 138.6
[M+H-H2O]+ 173.05710 123.5
[M+HCOO]- 235.05804 146.9
[M+CH3COO]- 249.07369 189.4
[M+Na-2H]- 211.03451 135.0
[M]+ 190.05929 142.7
[M]- 190.06039 142.7
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.