CID 206360

Picolinic acid, 5-(5-chloropentyl)-

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
C1=CC(=NC=C1CCCCCCl)C(=O)O
InChI
InChI=1S/C11H14ClNO2/c12-7-3-1-2-4-9-5-6-10(11(14)15)13-8-9/h5-6,8H,1-4,7H2,(H,14,15)
InChIKey
ZOOPILLITPCXKY-UHFFFAOYSA-N
Compound name
5-(5-chloropentyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.0713 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07858 148.2
[M+Na]+ 250.06052 156.0
[M-H]- 226.06402 148.7
[M+NH4]+ 245.10512 165.3
[M+K]+ 266.03446 151.5
[M+H-H2O]+ 210.06856 142.3
[M+HCOO]- 272.06950 164.4
[M+CH3COO]- 286.08515 186.3
[M+Na-2H]- 248.04597 152.6
[M]+ 227.07075 151.3
[M]- 227.07185 151.3
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