CID 210271

Ethanethiol, 2-(cyclohexylmethyl)amino-, hydrogen sulfate (ester)

Structural Information

Molecular Formula
C9H19NO3S2
SMILES
C1CCC(CC1)CNCCSS(=O)(=O)O
InChI
InChI=1S/C9H19NO3S2/c11-15(12,13)14-7-6-10-8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,11,12,13)
InChIKey
ZFSVKFAPEAQCQG-UHFFFAOYSA-N
Compound name
(2-sulfosulfanylethylamino)methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08064 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08792 153.6
[M+Na]+ 276.06986 159.7
[M+NH4]+ 271.11446 160.6
[M+K]+ 292.04380 151.9
[M-H]- 252.07336 153.6
[M+Na-2H]- 274.05531 155.5
[M]+ 253.08009 155.0
[M]- 253.08119 155.0
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.