CID 16787117

2-(cyclopentylsulfanyl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C11H13NO2S
SMILES
C1CCC(C1)SC2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C11H13NO2S/c13-11(14)9-6-3-7-12-10(9)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,13,14)
InChIKey
BGJPFAXRLQDXEI-UHFFFAOYSA-N
Compound name
2-cyclopentylsulfanylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

223.0667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07398 148.8
[M+Na]+ 246.05592 159.3
[M+NH4]+ 241.10052 157.1
[M+K]+ 262.02986 153.4
[M-H]- 222.05942 151.1
[M+Na-2H]- 244.04137 154.1
[M]+ 223.06615 151.2
[M]- 223.06725 151.2
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

patents stripe