CID 3055233

1-hydroxyethyl 5-(4-chlorophenoxy)picolinate ester with pivalic acid

Structural Information

Molecular Formula
C19H20ClNO5
SMILES
CC(OC(=O)C1=NC=C(C=C1)OC2=CC=C(C=C2)Cl)OC(=O)C(C)(C)C
InChI
InChI=1S/C19H20ClNO5/c1-12(25-18(23)19(2,3)4)24-17(22)16-10-9-15(11-21-16)26-14-7-5-13(20)6-8-14/h5-12H,1-4H3
InChIKey
LIKNKTPHRMEWCX-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropanoyloxy)ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.103 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.110276 183.8
[M+Na]+ 400.092218 190.6
[M-H]- 376.095724 189.3
[M+NH4]+ 395.136823 195.1
[M+K]+ 416.066158 187.9
[M+H-H2O]+ 360.100260 175.9
[M+HCOO]- 422.101201 197.6
[M+CH3COO]- 436.116851 215.1
[M+Na-2H]- 398.077666 185.4
[M]+ 377.10245142 191.5
[M]- 377.10354858 191.5
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.