CID 70375

2-cyclooctylaminoethanethiol hydrogen sulfate (ester)

Structural Information

Molecular Formula
C10H21NO3S2
SMILES
C1CCCC(CCC1)NCCSS(=O)(=O)O
InChI
InChI=1S/C10H21NO3S2/c12-16(13,14)15-9-8-11-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H,12,13,14)
InChIKey
YDVWJKCVMAVQFZ-UHFFFAOYSA-N
Compound name
(2-sulfosulfanylethylamino)cyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09628 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10356 142.7
[M+Na]+ 290.08550 144.8
[M+NH4]+ 285.13010 145.2
[M+K]+ 306.05944 144.1
[M-H]- 266.08900 142.9
[M+Na-2H]- 288.07095 145.3
[M]+ 267.09573 143.2
[M]- 267.09683 143.2
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.