CID 217429

38914-42-0

Structural Information

Molecular Formula
C16H33NO4S2
SMILES
C1CCCC(CCC1)OCCCCCNCCCSS(=O)(=O)O
InChI
InChI=1S/C16H33NO4S2/c18-23(19,20)22-15-9-13-17-12-7-4-8-14-21-16-10-5-2-1-3-6-11-16/h16-17H,1-15H2,(H,18,19,20)
InChIKey
SWNNISFWMQYKEP-UHFFFAOYSA-N
Compound name
5-(3-sulfosulfanylpropylamino)pentoxycyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1851 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19238 163.4
[M+Na]+ 390.17432 165.4
[M-H]- 366.17782 163.4
[M+NH4]+ 385.21892 168.8
[M+K]+ 406.14826 164.3
[M+H-H2O]+ 350.18236 159.4
[M+HCOO]- 412.18330 166.5
[M+CH3COO]- 426.19895 234.0
[M+Na-2H]- 388.15977 161.6
[M]+ 367.18455 163.9
[M]- 367.18565 163.9
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.