CID 16727462

2-[2-[1-(sulfanylmethyl)propylamino]ethylamino]butane-1-thiol

Structural Information

Molecular Formula
C10H24N2S2
SMILES
CCC(CS)NCCNC(CC)CS
InChI
InChI=1S/C10H24N2S2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3
InChIKey
TVLZRBORRGRUIR-UHFFFAOYSA-N
Compound name
2-[2-(1-sulfanylbutan-2-ylamino)ethylamino]butane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.13809 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14537 153.8
[M+Na]+ 259.12731 156.6
[M-H]- 235.13081 152.6
[M+NH4]+ 254.17191 171.2
[M+K]+ 275.10125 153.0
[M+H-H2O]+ 219.13535 146.7
[M+HCOO]- 281.13629 164.1
[M+CH3COO]- 295.15194 198.9
[M+Na-2H]- 257.11276 151.6
[M]+ 236.13754 156.0
[M]- 236.13864 156.0
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

No patent data available for this compound.