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

11
Patents

215.03493 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 141.5
[M+Na]+ 238.02415 150.1
[M-H]- 214.02765 142.4
[M+NH4]+ 233.06875 159.0
[M+K]+ 253.99809 146.7
[M+H-H2O]+ 198.03219 135.8
[M+HCOO]- 260.03313 158.6
[M+CH3COO]- 274.04878 182.3
[M+Na-2H]- 236.00960 147.0
[M]+ 215.03438 145.4
[M]- 215.03548 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