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 158.3
[M+Na]+ 290.08550 161.1
[M-H]- 266.08900 158.2
[M+NH4]+ 285.13010 173.7
[M+K]+ 306.05944 156.5
[M+H-H2O]+ 250.09354 152.0
[M+HCOO]- 312.09448 166.0
[M+CH3COO]- 326.11013 191.1
[M+Na-2H]- 288.07095 159.1
[M]+ 267.09573 156.9
[M]- 267.09683 156.9
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.