CID 11536061

4-(pyridin-2-yldisulfanyl)pentanoic acid

Structural Information

Molecular Formula
C10H13NO2S2
SMILES
CC(CCC(=O)O)SSC1=CC=CC=N1
InChI
InChI=1S/C10H13NO2S2/c1-8(5-6-10(12)13)14-15-9-4-2-3-7-11-9/h2-4,7-8H,5-6H2,1H3,(H,12,13)
InChIKey
OOUPHXWHXYLQBK-UHFFFAOYSA-N
Compound name
4-(pyridin-2-yldisulfanyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

791
Patents

243.03877 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04605 150.3
[M+Na]+ 266.02799 160.2
[M+NH4]+ 261.07259 157.9
[M+K]+ 282.00193 151.3
[M-H]- 242.03149 150.9
[M+Na-2H]- 264.01344 154.2
[M]+ 243.03822 152.6
[M]- 243.03932 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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