CID 100696

4-(2-sulfosulfanylethylamino)butylcyclohexane

Structural Information

Molecular Formula
C12H25NO3S2
SMILES
C1CCC(CC1)CCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C12H25NO3S2/c14-18(15,16)17-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h12-13H,1-11H2,(H,14,15,16)
InChIKey
ZXQNHZRSLAQFIO-UHFFFAOYSA-N
Compound name
4-(2-sulfosulfanylethylamino)butylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1276 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13488 165.6
[M+Na]+ 318.11682 171.0
[M+NH4]+ 313.16142 172.1
[M+K]+ 334.09076 162.6
[M-H]- 294.12032 165.4
[M+Na-2H]- 316.10227 166.8
[M]+ 295.12705 166.8
[M]- 295.12815 166.8
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

patents stripe