CID 3055221

5-(3-chloropropoxy)picolinic acid

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
C1=CC(=NC=C1OCCCCl)C(=O)O
InChI
InChI=1S/C9H10ClNO3/c10-4-1-5-14-7-2-3-8(9(12)13)11-6-7/h2-3,6H,1,4-5H2,(H,12,13)
InChIKey
YQGKMQPCIMTPCB-UHFFFAOYSA-N
Compound name
5-(3-chloropropoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.03493 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 141.5
[M+Na]+ 238.024148 150.1
[M-H]- 214.027654 142.4
[M+NH4]+ 233.068753 159.0
[M+K]+ 253.998088 146.7
[M+H-H2O]+ 198.032190 135.8
[M+HCOO]- 260.033131 158.6
[M+CH3COO]- 274.048781 182.3
[M+Na-2H]- 236.009596 147.0
[M]+ 215.03438142 145.4
[M]- 215.03547858 145.4
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