CID 46359

64011-92-3

Structural Information

Molecular Formula
C10H22N2S2
SMILES
C1CC(C1CNCCS)CNCCS
InChI
InChI=1S/C10H22N2S2/c13-5-3-11-7-9-1-2-10(9)8-12-4-6-14/h9-14H,1-8H2
InChIKey
VHIMWKYVYLKRKR-UHFFFAOYSA-N
Compound name
2-[[2-[(2-sulfanylethylamino)methyl]cyclobutyl]methylamino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.12244 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12972 146.4
[M+Na]+ 257.11166 147.5
[M-H]- 233.11516 147.8
[M+NH4]+ 252.15626 157.2
[M+K]+ 273.08560 146.6
[M+H-H2O]+ 217.11970 132.4
[M+HCOO]- 279.12064 157.0
[M+CH3COO]- 293.13629 199.3
[M+Na-2H]- 255.09711 145.4
[M]+ 234.12189 155.5
[M]- 234.12299 155.5
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.