CID 210272

21208-91-3

Structural Information

Molecular Formula
C10H21NO3S2
SMILES
C1CCC(CC1)CCNCCSS(=O)(=O)O
InChI
InChI=1S/C10H21NO3S2/c12-16(13,14)15-9-8-11-7-6-10-4-2-1-3-5-10/h10-11H,1-9H2,(H,12,13,14)
InChIKey
NMMPIDXMVUTDMM-UHFFFAOYSA-N
Compound name
2-(2-sulfosulfanylethylamino)ethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09628 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10356 157.6
[M+Na]+ 290.08550 163.5
[M+NH4]+ 285.13010 164.4
[M+K]+ 306.05944 155.5
[M-H]- 266.08900 157.5
[M+Na-2H]- 288.07095 159.3
[M]+ 267.09573 158.9
[M]- 267.09683 158.9
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.