CID 210292

21209-16-5

Structural Information

Molecular Formula
C16H33NO3S2
SMILES
C1CCCC(CC1)CCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C16H33NO3S2/c18-22(19,20)21-15-14-17-13-9-5-1-2-6-10-16-11-7-3-4-8-12-16/h16-17H,1-15H2,(H,18,19,20)
InChIKey
AUHFJVPFZBSCTD-UHFFFAOYSA-N
Compound name
7-(2-sulfosulfanylethylamino)heptylcycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19748 182.9
[M+Na]+ 374.17942 180.0
[M-H]- 350.18292 182.5
[M+NH4]+ 369.22402 193.3
[M+K]+ 390.15336 180.0
[M+H-H2O]+ 334.18746 175.4
[M+HCOO]- 396.18840 188.1
[M+CH3COO]- 410.20405 209.0
[M+Na-2H]- 372.16487 180.0
[M]+ 351.18965 179.6
[M]- 351.19075 179.6
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.