CID 210270

Ethanethiol, 2-(3-cyclobutylpropyl)amino-, hydrogen sulfate (ester)

Structural Information

Molecular Formula
C9H19NO3S2
SMILES
C1CC(C1)CCCNCCSS(=O)(=O)O
InChI
InChI=1S/C9H19NO3S2/c11-15(12,13)14-8-7-10-6-2-5-9-3-1-4-9/h9-10H,1-8H2,(H,11,12,13)
InChIKey
AANRIYKSAOVZLS-UHFFFAOYSA-N
Compound name
3-(2-sulfosulfanylethylamino)propylcyclobutane
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 150.1
[M+Na]+ 276.06986 151.2
[M-H]- 252.07336 149.9
[M+NH4]+ 271.11446 159.1
[M+K]+ 292.04380 150.3
[M+H-H2O]+ 236.07790 136.9
[M+HCOO]- 298.07884 158.4
[M+CH3COO]- 312.09449 192.8
[M+Na-2H]- 274.05531 150.3
[M]+ 253.08009 159.6
[M]- 253.08119 159.6
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.