CID 24839711

Ethanol, 2-phenoxy-, isonicotinate, hydrochloride

Structural Information

Molecular Formula
C14H13NO3
SMILES
C1=CC=C(C=C1)OCCOC(=O)C2=CC=NC=C2
InChI
InChI=1S/C14H13NO3/c16-14(12-6-8-15-9-7-12)18-11-10-17-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKey
IEYUXNGSTYAJBX-UHFFFAOYSA-N
Compound name
2-phenoxyethyl pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 153.4
[M+Na]+ 266.07876 159.8
[M-H]- 242.08226 158.3
[M+NH4]+ 261.12336 168.7
[M+K]+ 282.05270 157.3
[M+H-H2O]+ 226.08680 144.6
[M+HCOO]- 288.08774 176.3
[M+CH3COO]- 302.10339 190.1
[M+Na-2H]- 264.06421 160.3
[M]+ 243.08899 155.7
[M]- 243.09009 155.7
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.