CID 215894

36701-94-7

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC1=C(C(=CC=C1)OC2=C(C=CC=N2)C(=O)OC)C
InChI
InChI=1S/C15H15NO3/c1-10-6-4-8-13(11(10)2)19-14-12(15(17)18-3)7-5-9-16-14/h4-9H,1-3H3
InChIKey
UDNLEGGJHUPMPN-UHFFFAOYSA-N
Compound name
methyl 2-(2,3-dimethylphenoxy)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 157.0
[M+Na]+ 280.09442 165.9
[M-H]- 256.09792 163.0
[M+NH4]+ 275.13902 172.8
[M+K]+ 296.06836 163.3
[M+H-H2O]+ 240.10246 148.8
[M+HCOO]- 302.10340 179.6
[M+CH3COO]- 316.11905 196.6
[M+Na-2H]- 278.07987 161.3
[M]+ 257.10465 161.0
[M]- 257.10575 161.0
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.