CID 9361752

3-cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
CSC1=C(C(=CC(=N1)C2CC2)C(=O)O)C#N
InChI
InChI=1S/C11H10N2O2S/c1-16-10-8(5-12)7(11(14)15)4-9(13-10)6-2-3-6/h4,6H,2-3H2,1H3,(H,14,15)
InChIKey
XWFRSQOPUQMYFX-UHFFFAOYSA-N
Compound name
3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0463 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 147.5
[M+Na]+ 257.03552 160.0
[M+NH4]+ 252.08012 152.4
[M+K]+ 273.00946 151.8
[M-H]- 233.03902 148.7
[M+Na-2H]- 255.02097 152.9
[M]+ 234.04575 150.2
[M]- 234.04685 150.2
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

No patent data available for this compound.