CID 209092

19213-26-4

Structural Information

Molecular Formula
C8H15NO3S2
SMILES
C(CCSC(=O)SCCN)CC(=O)O
InChI
InChI=1S/C8H15NO3S2/c9-4-6-14-8(12)13-5-2-1-3-7(10)11/h1-6,9H2,(H,10,11)
InChIKey
SXMNWGXPKSNHLO-UHFFFAOYSA-N
Compound name
5-(2-aminoethylsulfanylcarbonylsulfanyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.04933 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.05661 152.3
[M+Na]+ 260.03855 157.6
[M+NH4]+ 255.08315 158.2
[M+K]+ 276.01249 150.6
[M-H]- 236.04205 150.1
[M+Na-2H]- 258.02400 151.5
[M]+ 237.04878 152.8
[M]- 237.04988 152.8
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.